Phytolacca acinosa

ncbi_taxid: 3528 - Phytolacca acinosa(species); all_childs:

taxonomy name: Phytolacca acinosa (species)
ancestor: Phytolacca (genus)

Child Taxonomy

taxonomy name rank note

Enzyme Proteins

protein id name ec_number function

Metabolites

LCMS Annotations
Literature Annotations
Metabolite Database Reference Structure
Eleutheroside A

Formula: C35H60O6
Exact Mass: 576.439
Source ID: CNP0324146.1
  • CAS Registry: 474-58-8
  • KEGG: C20785
  • LipidMAPS: LMST01040197
  • BioCYC:
Estrone

Formula: C18H22O2
Exact Mass: 270.162
Source ID: CNP0395406.1
  • CAS Registry: 53-16-7
  • KEGG: C00468
  • LipidMAPS: LMST02010004
  • BioCYC: ESTRONE
Prednisolone

Formula: C21H28O5
Exact Mass: 360.1937
Source ID: CNP0337063.1
  • CAS Registry: 50-24-8
  • KEGG: C07369
  • LipidMAPS: LMST02030179
  • BioCYC:
beta-Sitosterol

Formula: C29H50O
Exact Mass: 414.3861
Source ID: CNP0236620.1
  • CAS Registry: 83-46-5
  • KEGG: C01753
  • LipidMAPS: LMST01040129
  • BioCYC: CPD-4143
Quercetin

Formula: C15H10O7
Exact Mass: 302.0427
Source ID: CNP0103504.0
  • CAS Registry: 117-39-5
  • KEGG: C00389
  • LipidMAPS: LMPK12110004
  • BioCYC: CPD-520
Bergapten

Formula: C12H8O4
Exact Mass: 216.0423
Source ID: CNP0211069.0
  • CAS Registry: 484-20-8
  • KEGG: C01557
  • LipidMAPS:
  • BioCYC: 5-METHOXYFURANOCOUMARIN
Gallate

Formula: C7H6O5
Exact Mass: 170.0215
Source ID: CNP0133244.0
  • CAS Registry: 149-91-7
  • KEGG: C01424
  • LipidMAPS:
  • BioCYC: CPD-183
Methyl gallate

Formula: C8H8O5
Exact Mass: 184.0372
Source ID: CNP0110273.0
  • CAS Registry: 99-24-1
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Friedelin

Formula: C30H50O
Exact Mass: 426.3861
Source ID: CNP0240312.1
  • CAS Registry: 559-74-0
  • KEGG: C08626
  • LipidMAPS:
  • BioCYC: CPD-13047
Esculetin

Formula: C9H6O4
Exact Mass: 178.0266
Source ID: CNP0386988.0
  • CAS Registry: 305-01-1
  • KEGG: C09263
  • LipidMAPS:
  • BioCYC: CPD-8097
Ursolic acid

Formula: C30H48O3
Exact Mass: 456.3603
Source ID: CNP0219063.2
  • CAS Registry: 77-52-1
  • KEGG: C08988
  • LipidMAPS: LMPR0106180007
  • BioCYC:
Hydrogen cyanide

Formula: CHN
Exact Mass: 27.0109
Source ID: CNP0572559.0
  • CAS Registry: 74-90-8
  • KEGG: C01326
  • LipidMAPS:
  • BioCYC: HCN
Luteolin

Formula: C15H10O6
Exact Mass: 286.0477
Source ID: CNP0279503.0
  • CAS Registry: 491-70-3
  • KEGG: C01514
  • LipidMAPS: LMPK12110006
  • BioCYC: 5734-TETRAHYDROXYFLAVONE
Tricetin

Formula: C15H10O7
Exact Mass: 302.0427
Source ID: CNP0164562.0
  • CAS Registry: 520-31-0
  • KEGG: C10192
  • LipidMAPS: LMPK12110847
  • BioCYC: CPD-12570
Myricetin

Formula: C15H10O8
Exact Mass: 318.0376
Source ID: CNP0105429.0
  • CAS Registry: 529-44-2
  • KEGG: C10107
  • LipidMAPS: LMPK12110001
  • BioCYC: MYRICETIN
Cyanidin

Formula: C15H11O6
Exact Mass: 287.0556
Source ID: CNP0492502.0
  • CAS Registry: 528-58-5
  • KEGG: C05905
  • LipidMAPS: LMPK12010002
  • BioCYC: CPD-591
PUNICACORTEIN C

Formula: C48H28O30
Exact Mass: 1084.0665
Source ID: CNP0565525.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Betulin

Formula: C30H50O2
Exact Mass: 442.3811
Source ID: CNP0223449.1
  • CAS Registry: 473-98-3
  • KEGG: C08618
  • LipidMAPS: LMPR0106140005
  • BioCYC: CPD-14491
Ellagic acid

Formula: C14H6O8
Exact Mass: 302.0063
Source ID: CNP0224900.0
  • CAS Registry: 476-66-4
  • KEGG: C10788
  • LipidMAPS:
  • BioCYC: CPD-17769
Octadec-9-enoic Acid

Formula: C18H34O2
Exact Mass: 282.2559
Source ID: CNP0142072.0
  • CAS Registry: 2027-47-6
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Punicic acid

Formula: C18H30O2
Exact Mass: 278.2246
Source ID: CNP0242263.0
  • CAS Registry: 544-72-9
  • KEGG: C08364
  • LipidMAPS: LMFA01030146
  • BioCYC:
Citrate

Formula: C6H8O7
Exact Mass: 192.027
Source ID: CNP0149674.0
  • CAS Registry: 77-92-9
  • KEGG: C00158
  • LipidMAPS:
  • BioCYC: CIT
3,3'-Di-O-methylellagic acid

Formula: C16H10O8
Exact Mass: 330.0376
Source ID: CNP0147967.0
  • CAS Registry: 2239-88-5
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Pelletierine

Formula: C8H15NO
Exact Mass: 141.1154
Source ID: CNP0264302.1
  • CAS Registry: 4396-01-4
  • KEGG: C06182
  • LipidMAPS:
  • BioCYC:
Punigluconin

Formula: C34H26O23
Exact Mass: 802.0865
Source ID: CNP0319769.1
  • CAS Registry: 103488-38-6
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Glycerol

Formula: C3H8O3
Exact Mass: 92.0473
Source ID: CNP0259986.0
  • CAS Registry: 56-81-5
  • KEGG: C00116
  • LipidMAPS:
  • BioCYC: GLYCEROL
(+)-Borneol

Formula: C10H18O
Exact Mass: 154.1358
Source ID: CNP0259481.3
  • CAS Registry: 464-43-7
  • KEGG: C01765
  • LipidMAPS: LMPR0102120003
  • BioCYC: CPD-1903
Santin

Formula: C18H16O7
Exact Mass: 344.0896
Source ID: CNP0273817.0
  • CAS Registry: 27782-63-4
  • KEGG: C10180
  • LipidMAPS: LMPK12112861
  • BioCYC:
Oleanolic acid

Formula: C30H48O3
Exact Mass: 456.3603
Source ID: CNP0213216.3
  • CAS Registry: 508-02-1
  • KEGG: C17148
  • LipidMAPS: LMPR0106150004
  • BioCYC:
Betulinic acid

Formula: C30H48O3
Exact Mass: 456.3603
Source ID: CNP0226572.4
  • CAS Registry: 472-15-1
  • KEGG: C08619
  • LipidMAPS: LMPR0106140004
  • BioCYC:
3-O-methylellagic acid

Formula: C15H8O8
Exact Mass: 316.0219
Source ID: CNP0234522.0
  • CAS Registry: 51768-38-8
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Mannitol

Formula: C6H14O6
Exact Mass: 182.079
Source ID: CNP0190948.1
  • CAS Registry: 69-65-8
  • KEGG: C00392
  • LipidMAPS:
  • BioCYC: MANNITOL
Lupeol

Formula: C30H50O
Exact Mass: 426.3861
Source ID: CNP0269715.3
  • CAS Registry: 545-47-1
  • KEGG: C08628
  • LipidMAPS: LMPR0106130001
  • BioCYC: CPD-90
Corilagin

Formula: C27H22O18
Exact Mass: 634.0806
Source ID: CNP0154709.1
  • CAS Registry: 23094-69-1
  • KEGG: C10219
  • LipidMAPS:
  • BioCYC: CPD-17770
Delphinidin

Formula: C15H11O7
Exact Mass: 303.0505
Source ID: CNP0493992.0
  • CAS Registry: 528-53-0
  • KEGG: C05908
  • LipidMAPS: LMPK12010001
  • BioCYC:
beta-Phenylethanol beta-D-rutinoside

Formula: C20H30O10
Exact Mass: 430.1839
Source ID: CNP0242697.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
1,2,3-Tri-O-galloyl-beta-D-glucose

Formula: C27H24O18
Exact Mass: 636.0963
Source ID: CNP0295504.1
  • CAS Registry: 84415-91-8
  • KEGG:
  • LipidMAPS:
  • BioCYC:
1-O,2-O,6-O-Trigalloyl-beta-D-glucose

Formula: C27H24O18
Exact Mass: 636.0963
Source ID: CNP0191641.1
  • CAS Registry: 79886-49-0
  • KEGG: C04360
  • LipidMAPS:
  • BioCYC:
Apigenin 4'-O-glucoside

Formula: C21H20O10
Exact Mass: 432.1056
Source ID: CNP0206784.1
  • CAS Registry: 20486-34-4
  • KEGG:
  • LipidMAPS: LMPK12110349
  • BioCYC:
luteolin-4'-O-beta-D-glucopyranoside

Formula: C21H20O11
Exact Mass: 448.1006
Source ID: CNP0136667.1
  • CAS Registry: 6920-38-3
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C31H48O4
Exact Mass: 484.3552
Source ID: CNP0285760.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C22H20O12
Exact Mass: 476.0955
Source ID: CNP0250329.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C26H30O15
Exact Mass: 582.1585
Source ID: CNP0292591.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
(1~{R},2~{S},8~{R},10~{R},19~{R},39~{S})-8,9,9,13,14,25,26,27,30,31,32,39-dodecahydroxy-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.1^{2,19}.1^{8,12}.0^{5,10}.0^{11,16}.0^{23,28}.0^{29,34}]tetraconta-5,11,13,15,23,25,27,29(34),30,32-decaene-4,7,17,22,35-pentone

Formula: C34H24O23
Exact Mass: 800.0708
Source ID: CNP0349297.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
(10~{R},11~{R})-10-[(14~{S},15~{S},19~{S})-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0^{5,18}.0^{6,11}]nonadeca-1,3,5(18),6(11),7,9-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.0^{2,7}.0^{15,20}.0^{21,30}.0^{24,29}.0^{28,33}]pentatriaconta-1(35),2,4,6,15(20),16,18,21,23,27,29,33-dodecaene-8,14,26,31-tetrone

Formula: C48H28O30
Exact Mass: 1084.0665
Source ID: CNP0565525.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
2-(1-Propenyl)-delta1-piperideine

Formula: C8H13N
Exact Mass: 123.1048
Source ID: CNP0209420.0
  • CAS Registry: 16543-92-3
  • KEGG:
  • LipidMAPS:
  • BioCYC:
1-[(2S)-1-methylpiperidin-2-yl]propan-2-one

Formula: C9H17NO
Exact Mass: 155.131
Source ID: CNP0400104.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C21H36O4
Exact Mass: 352.2613
Source ID: CNP0389351.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C22H32O13
Exact Mass: 504.1843
Source ID: CNP0192810.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
(10~{R},11~{S})-10-[(10~{R},11~{R},19~{R})-3,4,5,15,16,17,19-heptahydroxy-8,13-dioxo-9,12-dioxatetracyclo[12.3.1.1^{6,10}.0^{2,7}]nonadeca-1(18),2(7),3,5,14,16-hexaen-11-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.0^{2,7}.0^{15,20}.0^{21,30}.0^{24,29}.0^{28,33}]pentatriaconta-1(35),2,4,6,15(20),16,18,21,23,27,29,33-dodecaene-8,14,26,31-tetrone

Formula: C48H28O30
Exact Mass: 1084.0665
Source ID: CNP0584709.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C16H22O3
Exact Mass: 262.1569
Source ID: CNP0135335.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
20-Hydroxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid

Formula: C30H46O4
Exact Mass: 470.3396
Source ID: CNP0224523.1
  • CAS Registry: 32303-26-7
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C24H44O4
Exact Mass: 396.3239
Source ID: CNP0218807.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
~{O}8-[(1~{R},19~{R},21~{R},23~{R})-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10(15),11,13-hexaen-23-yl] ~{O}1-methyl (1~{R},3~{a}~{R},8~{b}~{R})-5,6-dihydroxy-3~{a}-(2-methoxy-2-oxo-ethyl)-3-oxo-1,8~{b}-dihydrofuro[3,4-b]benzofuran-1,8-dicarboxylate

Formula: C43H34O28
Exact Mass: 998.1237
Source ID: CNP0284613.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C41H28O26
Exact Mass: 936.0869
Source ID: CNP0218615.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C48H28O30
Exact Mass: 1084.0665
Source ID: CNP0320825.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Strictinin

Formula: C27H22O18
Exact Mass: 634.0806
Source ID: CNP0348975.3
  • CAS Registry: 517-46-4
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Sesamin

Formula: C20H18O6
Exact Mass: 354.1103
Source ID: CNP0123354.5
  • CAS Registry: 607-80-7
  • KEGG: C10882
  • LipidMAPS:
  • BioCYC: CPD-8922


Formula: C21H22O13
Exact Mass: 482.106
Source ID: CNP0162740.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Glucoraphanin

Formula: C12H23NO10S3
Exact Mass: 437.0484
Source ID: CNP0584886.1
  • CAS Registry: 21414-41-5
  • KEGG: C08419
  • LipidMAPS:
  • BioCYC:
13-hydroxy-12-methoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,11(19),12,14-hexaene-9,16-dione

Formula: C16H8O8
Exact Mass: 328.0219
Source ID: CNP0209242.0
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C15H12O6
Exact Mass: 288.0634
Source ID: CNP0111987.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Epifriedelin

Formula: C30H50O
Exact Mass: 426.3861
Source ID: CNP0240312.5
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Esculentic acid (Phytolacca)

Formula: C30H46O6
Exact Mass: 502.3294
Source ID: CNP0299008.1
  • CAS Registry: 56283-68-2
  • KEGG:
  • LipidMAPS:
  • BioCYC:
beta-Sitosterol acetate

Formula: C31H52O2
Exact Mass: 456.3967
Source ID: CNP0133167.1
  • CAS Registry: 915-05-9
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Esculentoside D

Formula: C37H58O12
Exact Mass: 694.3928
Source ID: CNP0356300.1
  • CAS Registry: 89808-50-4
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C27H22O18
Exact Mass: 634.0806
Source ID: CNP0323416.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
(2R,3S)-3-[(10S,11S)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-10-yl]-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]propanoic acid

Formula: C34H26O23
Exact Mass: 802.0865
Source ID: CNP0319769.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C34H26O22
Exact Mass: 786.0916
Source ID: CNP0399561.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
[(2R,3R,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

Formula: C27H24O18
Exact Mass: 636.0963
Source ID: CNP0169296.1
  • CAS Registry: 193484-86-5
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C35H60O6
Exact Mass: 576.439
Source ID: CNP0324146.11
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C48H28O32
Exact Mass: 1116.0564
Source ID: CNP0205081.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Crataegolic acid

Formula: C30H48O4
Exact Mass: 472.3552
Source ID: CNP0227468.7
  • CAS Registry: 4373-41-5
  • KEGG: C16939
  • LipidMAPS: LMPR0106180014
  • BioCYC:


Formula: C26H50O4
Exact Mass: 426.3709
Source ID: CNP0307576.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
3-O-Methylellagic acid 4-O-rhamnoside

Formula: C21H18O12
Exact Mass: 462.0798
Source ID: CNP0124220.1
  • CAS Registry: 639089-97-7
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C26H30O19
Exact Mass: 646.1381
Source ID: CNP0105746.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C18H22O4
Exact Mass: 302.1518
Source ID: CNP0172842.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Pseudopelletierine

Formula: C9H15NO
Exact Mass: 153.1154
Source ID: CNP0115646.1
  • CAS Registry: 552-70-5
  • KEGG: C10865
  • LipidMAPS:
  • BioCYC:


Formula: C55H32O33
Exact Mass: 1220.0826
Source ID: CNP0493421.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
[(2~{R},3~{S})-3-[(14~{S},15~{R},19~{R})-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0^{5,18}.0^{6,11}]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-2,3-dihydroxy-propyl] 3,4,5-trihydroxybenzoate

Formula: C27H22O18
Exact Mass: 634.0806
Source ID: CNP0325853.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C23H28O6
Exact Mass: 400.1886
Source ID: CNP0291876.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
103744-88-3

Formula: C21H10O13
Exact Mass: 470.0121
Source ID: CNP0103982.0
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Stigmasterol

Formula: C29H48O
Exact Mass: 412.3705
Source ID: CNP0389131.15
  • CAS Registry: 83-48-7
  • KEGG: C05442
  • LipidMAPS: LMST01040123
  • BioCYC: CPD-4162
Pelargonin

Formula: C27H31O15
Exact Mass: 595.1663
Source ID: CNP0533557.1
  • CAS Registry: 17334-58-6
  • KEGG: C08725
  • LipidMAPS: LMPK12010015
  • BioCYC:
(10R,11R,13R,14R,15S)-3,4,5,11,14,20,21,22-octahydroxy-13-(hydroxymethyl)-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione

Formula: C20H18O14
Exact Mass: 482.0697
Source ID: CNP0163367.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Tercatain

Formula: C34H26O22
Exact Mass: 786.0916
Source ID: CNP0305093.1
  • CAS Registry: 103744-87-2
  • KEGG:
  • LipidMAPS:
  • BioCYC:
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol

Formula: C21H30O12
Exact Mass: 474.1737
Source ID: CNP0253630.1
  • CAS Registry: 825651-69-2
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Pentagalloylglucose

Formula: C41H32O26
Exact Mass: 940.1182
Source ID: CNP0115418.3
  • CAS Registry: 14937-32-7
  • KEGG: C04576
  • LipidMAPS:
  • BioCYC: 12346-PENTAKIS-O-GALLOYL-BETA-D-GLUC


Formula: C30H48O3
Exact Mass: 456.3603
Source ID: CNP0219063.10
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
[(7~{S},10~{S},28~{R},29~{R},38~{S})-1,16,17,18,21,22,23,34,35,39,39-undecahydroxy-2,5,13,26,31-pentaoxo-6,9,12,27,30,40-hexaoxaoctacyclo[34.3.1.0^{4,38}.0^{7,28}.0^{10,29}.0^{14,19}.0^{20,25}.0^{32,37}]tetraconta-3,14,16,18,20(25),21,23,32,34,36-decaen-8-yl] 3,4,5-trihydroxybenzoate

Formula: C41H28O27
Exact Mass: 952.0818
Source ID: CNP0578609.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C27H22O18
Exact Mass: 634.0806
Source ID: CNP0267965.3
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C58H94O6
Exact Mass: 886.705
Source ID: CNP0302406.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
[(1~{S},19~{R},21~{S},23~{R})-5,6,7,8,11,12,13,14,22,23-decahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate

Formula: C27H22O20
Exact Mass: 666.0704
Source ID: CNP0243616.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C35H60O6
Exact Mass: 576.439
Source ID: CNP0324146.13
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
acinospesigenin-C

Formula: C31H46O8
Exact Mass: 546.3193
Source ID: CNP0332313.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C48H28O30
Exact Mass: 1084.0665
Source ID: CNP0204048.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Histamine

Formula: C5H9N3
Exact Mass: 111.0796
Source ID: CNP0591741.0
  • CAS Registry: 51-45-6
  • KEGG: C00388
  • LipidMAPS:
  • BioCYC: HISTAMINE
Acinospesigenin A

Formula: C32H50O6
Exact Mass: 530.3607
Source ID: CNP0122976.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS: LMPR0106160001
  • BioCYC:


Formula: C34H26O23
Exact Mass: 802.0865
Source ID: CNP0234495.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C18H20O5
Exact Mass: 316.1311
Source ID: CNP0409570.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Icariside D1

Formula: C19H28O10
Exact Mass: 416.1682
Source ID: CNP0206016.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
DTXSID701126664

Formula: C16H18O3
Exact Mass: 258.1256
Source ID: CNP0133602.1
  • CAS Registry: 132237-64-0
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C48H76O21
Exact Mass: 988.4879
Source ID: CNP0352295.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C42H66O15
Exact Mass: 810.4401
Source ID: CNP0265199.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C48H28O30
Exact Mass: 1084.0665
Source ID: CNP0565525.3
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C18H22O2
Exact Mass: 270.162
Source ID: CNP0395406.3
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C48H28O29
Exact Mass: 1068.0716
Source ID: CNP0483117.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Santin

Formula: C18H16O7
Exact Mass: 344.0896
Source ID: CNP0381221.0
  • CAS Registry: 27782-63-4
  • KEGG: C10180
  • LipidMAPS: LMPK12112861
  • BioCYC:
~{O}8-[(1~{R},19~{R},21~{R},23~{R})-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10(15),11,13-hexaen-23-yl] ~{O}1-methyl (1~{S},3~{a}~{R},8~{b}~{R})-5,6-dihydroxy-3~{a}-(2-methoxy-2-oxo-ethyl)-3-oxo-1,8~{b}-dihydrofuro[3,4-b]benzofuran-1,8-dicarboxylate

Formula: C43H34O28
Exact Mass: 998.1237
Source ID: CNP0284613.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
[(2R,3R,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

Formula: C27H24O18
Exact Mass: 636.0963
Source ID: CNP0108548.1
  • CAS Registry: 193484-86-5
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C41H26O26
Exact Mass: 934.0712
Source ID: CNP0330765.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C16H14O10
Exact Mass: 366.0587
Source ID: CNP0195857.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C30H44O4
Exact Mass: 468.3239
Source ID: CNP0375619.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C25H24O6
Exact Mass: 420.1573
Source ID: CNP0256265.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Esculentoside F

Formula: C41H64O16
Exact Mass: 812.4194
Source ID: CNP0108344.1
  • CAS Registry: 95263-31-3
  • KEGG:
  • LipidMAPS:
  • BioCYC:
[(2~{R},3~{R})-3-[(14~{R},15~{S},19~{R})-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0^{5,18}.0^{6,11}]nonadeca-1(18),2,4,6,8,10-hexaen-14-yl]-2,3-dihydroxy-propyl] 3,4,5-trihydroxybenzoate

Formula: C27H22O18
Exact Mass: 634.0806
Source ID: CNP0325853.3
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C35H54O11
Exact Mass: 650.3666
Source ID: CNP0358342.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C35H54O6
Exact Mass: 570.392
Source ID: CNP0146287.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C20H18O10
Exact Mass: 418.09
Source ID: CNP0245468.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
PUNICACORTEIN C

Formula: C48H28O30
Exact Mass: 1084.0665
Source ID: CNP0565525.4
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C13H8O11S
Exact Mass: 371.9787
Source ID: CNP0400936.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose

Formula: C34H28O22
Exact Mass: 788.1072
Source ID: CNP0136897.1
  • CAS Registry: 79886-50-3
  • KEGG: C04516
  • LipidMAPS:
  • BioCYC:


Formula: C27H32O14
Exact Mass: 580.1792
Source ID: CNP0106902.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Gallagic acid

Formula: C28H14O18
Exact Mass: 638.018
Source ID: CNP0323562.0
  • CAS Registry: 65995-62-2
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C35H54O11
Exact Mass: 650.3666
Source ID: CNP0402656.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Glucoraphanin

Formula: C12H23NO10S3
Exact Mass: 437.0484
Source ID: CNP0584886.3
  • CAS Registry: 21414-41-5
  • KEGG: C08419
  • LipidMAPS:
  • BioCYC:
1,4,6-Trigalloyl-beta-D-glucopyranose

Formula: C27H24O18
Exact Mass: 636.0963
Source ID: CNP0242534.2
  • CAS Registry: 94513-58-3
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Pregnenolone

Formula: C21H32O2
Exact Mass: 316.2402
Source ID: CNP0185007.2
  • CAS Registry: 145-13-1
  • KEGG: C01953
  • LipidMAPS: LMST02030088
  • BioCYC: PREGNENOLONE
Punicalin

Formula: C34H22O22
Exact Mass: 782.0603
Source ID: CNP0187060.3
  • CAS Registry: 65995-64-4
  • KEGG: C23061
  • LipidMAPS:
  • BioCYC:
Punicafolin

Formula: C41H30O26
Exact Mass: 938.1025
Source ID: CNP0204599.2
  • CAS Registry: 88847-11-4
  • KEGG:
  • LipidMAPS:
  • BioCYC:
23-hydroxyursolic acid

Formula: C30H48O4
Exact Mass: 472.3552
Source ID: CNP0147233.3
  • CAS Registry: 94414-19-4
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Punicalagin

Formula: C48H28O30
Exact Mass: 1084.0665
Source ID: CNP0273825.4
  • CAS Registry: 65995-63-3
  • KEGG: C22601
  • LipidMAPS:
  • BioCYC:


Formula: C27H22O18
Exact Mass: 634.0806
Source ID: CNP0325853.4
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C48H28O30
Exact Mass: 1084.0665
Source ID: CNP0273825.5
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Phytolaccoside B

Formula: C36H56O11
Exact Mass: 664.3822
Source ID: CNP0174493.2
  • CAS Registry: 60820-94-2
  • KEGG: C08968
  • LipidMAPS:
  • BioCYC:
acinospesigenin-B

Formula: C31H46O7
Exact Mass: 530.3243
Source ID: CNP0197944.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C34H22O22
Exact Mass: 782.0603
Source ID: CNP0187060.4
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Pedunculagin

Formula: C34H24O22
Exact Mass: 784.0759
Source ID: CNP0407964.5
  • CAS Registry: 7045-42-3
  • KEGG: C10236
  • LipidMAPS:
  • BioCYC: CPD-17772
Ellagic acid deoxyhexoside

Formula: C20H16O12
Exact Mass: 448.0642
Source ID: CNP0225141.1
  • CAS Registry: 211371-02-7
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C34H22O22
Exact Mass: 782.0603
Source ID: CNP0601072.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Betanin

Formula: C24H26N2O13
Exact Mass: 550.1435
Source ID: CNP0188086.2
  • CAS Registry: 7659-95-2
  • KEGG: C08540
  • LipidMAPS:
  • BioCYC:
4-Hydroxy-2H-pyran-3-carboxaldehyde

Formula: C6H6O3
Exact Mass: 126.0317
Source ID: CNP0216664.0
  • CAS Registry: 26110-68-9
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C27H22O18
Exact Mass: 634.0806
Source ID: CNP0267965.4
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C34H26O22
Exact Mass: 786.0916
Source ID: CNP0230431.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C30H48O5
Exact Mass: 488.3502
Source ID: CNP0380608.5
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
7,8,9-trihydroxy-1,2-dihydrocyclopenta[c]isochromene-3,5-dione

Formula: C12H8O6
Exact Mass: 248.0321
Source ID: CNP0301059.0
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Punicanolic acid

Formula: C30H50O4
Exact Mass: 474.3709
Source ID: CNP0241670.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C59H42O34
Exact Mass: 1294.1557
Source ID: CNP0114325.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol

Formula: C22H32O13
Exact Mass: 504.1843
Source ID: CNP0192810.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C40H30O24
Exact Mass: 894.1127
Source ID: CNP0279901.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C27H22O18
Exact Mass: 634.0806
Source ID: CNP0267965.5
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
N-Methylpelletierine

Formula: C9H17NO
Exact Mass: 155.131
Source ID: CNP0400104.2
  • CAS Registry: 18747-42-7
  • KEGG: C06184
  • LipidMAPS:
  • BioCYC:


Formula: C21H30O12
Exact Mass: 474.1737
Source ID: CNP0253630.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C31H54O25
Exact Mass: 826.2954
Source ID: CNP0247206.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Phytolaccagenin

Formula: C31H48O7
Exact Mass: 532.34
Source ID: CNP0210006.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C37H58O12
Exact Mass: 694.3928
Source ID: CNP0356300.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Tellimagrandin I

Formula: C34H26O22
Exact Mass: 786.0916
Source ID: CNP0334119.2
  • CAS Registry: 79786-08-6
  • KEGG: C10241
  • LipidMAPS:
  • BioCYC:
Castanin

Formula: C34H24O22
Exact Mass: 784.0759
Source ID: CNP0528459.4
  • CAS Registry: 115406-24-1
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C48H28O30
Exact Mass: 1084.0665
Source ID: CNP0279739.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C40H30O24
Exact Mass: 894.1127
Source ID: CNP0279901.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C41H64O16
Exact Mass: 812.4194
Source ID: CNP0108344.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
[(1~{S},19~{R},21~{S},23~{R})-5,6,7,8,11,12,13,14-octahydroxy-3,16-dioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaen-23-yl] 3,4,5-trihydroxybenzoate

Formula: C41H30O28
Exact Mass: 970.0924
Source ID: CNP0120308.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
?Esculentoside A

Formula: C42H66O16
Exact Mass: 826.4351
Source ID: CNP0195465.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Galactitol

Formula: C6H14O6
Exact Mass: 182.079
Source ID: CNP0190948.8
  • CAS Registry: 608-66-2
  • KEGG: C01697
  • LipidMAPS:
  • BioCYC: GALACTITOL


Formula: C30H46O4
Exact Mass: 470.3396
Source ID: CNP0202080.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C20H18O7
Exact Mass: 370.1052
Source ID: CNP0202624.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Taraxerol

Formula: C30H50O
Exact Mass: 426.3861
Source ID: CNP0201957.6
  • CAS Registry: 127-22-0
  • KEGG: C08637
  • LipidMAPS:
  • BioCYC: 17803686


Formula: C15H12O8
Exact Mass: 320.0532
Source ID: CNP0112413.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
methyl-oxido-[(5Z)-5-sulfooxyimino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentyl]sulfanium

Formula: C12H23NO10S3
Exact Mass: 437.0484
Source ID: CNP0584886.4
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C18H16O10
Exact Mass: 392.0743
Source ID: CNP0212462.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:


Formula: C29H50O
Exact Mass: 414.3861
Source ID: CNP0236620.23
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Delphinidin 3,5-diglucoside

Formula: C27H31O17
Exact Mass: 627.1561
Source ID: CNP0359217.3
  • CAS Registry: 17670-06-3
  • KEGG: C16312
  • LipidMAPS: LMPK12010283
  • BioCYC:


Formula: C13H16O10
Exact Mass: 332.0743
Source ID: CNP0105228.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Cortisone

Formula: C21H28O5
Exact Mass: 360.1937
Source ID: CNP0233309.2
  • CAS Registry: 53-06-5
  • KEGG: C00762
  • LipidMAPS: LMST02030090
  • BioCYC: CORTISONE
Humilixanthin

Formula: C14H18N2O7
Exact Mass: 326.1114
Source ID: CNP0192864.2
  • CAS Registry: 111534-70-4
  • KEGG: C08548
  • LipidMAPS:
  • BioCYC:
Acinospesigenin B

Formula: C31H46O7
Exact Mass: 530.3243
Source ID: CNP0197944.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Acinospesigenin C

Formula: C31H46O8
Exact Mass: 546.3193
Source ID: CNP0332313.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Acinospesigenin A

Formula: C32H50O6
Exact Mass: 530.3607
Source ID: CNP0122976.2
  • CAS Registry:
  • KEGG:
  • LipidMAPS: LMPR0106160001
  • BioCYC:
acinospesigenin-A

Formula: C31H48O6
Exact Mass: 516.3451
Source ID: CNP0573144.1
  • CAS Registry:
  • KEGG:
  • LipidMAPS:
  • BioCYC:
Glucoraphanin

Formula: C12H23NO10S3
Exact Mass: 437.0484
Source ID: CNP0584886.7
  • CAS Registry: 21414-41-5
  • KEGG: C08419
  • LipidMAPS:
  • BioCYC: