Aquilaria sinensis (species) - 数据之源，洞见之始

Aquilaria sinensis

ncbi_taxid: 210372 - Aquilaria sinensis(species); all_childs:

taxonomy name: Aquilaria sinensis (species)
ancestor: Aquilaria (genus)

Child Taxonomy

taxonomy name	rank	note

Enzyme Proteins

protein id	name	ec_number	function

Metabolites

LCMS Annotations

Literature Annotations

Metabolite	Database Reference	Structure
Acacetin Formula: C16H12O5 Exact Mass: 284.0685 Source ID: CNP0248340.0	CAS Registry: 480-44-4 KEGG: C01470 LipidMAPS: LMPK12110468 BioCYC: CPD-1095
beta-Sitosterol Formula: C29H50O Exact Mass: 414.3861 Source ID: CNP0236620.1	CAS Registry: 83-46-5 KEGG: C01753 LipidMAPS: LMST01040129 BioCYC: CPD-4143
Genkwanin Formula: C16H12O5 Exact Mass: 284.0685 Source ID: CNP0145919.0	CAS Registry: 437-64-9 KEGG: C10046 LipidMAPS: LMPK12111018 BioCYC: CPD-15486
Methylparaben Formula: C8H8O3 Exact Mass: 152.0473 Source ID: CNP0259416.0	CAS Registry: 99-76-3 KEGG: D01400 LipidMAPS: BioCYC: CPD-18691
(-)-Caryophyllene Oxide Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0274815.1	CAS Registry: 1139-30-6 KEGG: LipidMAPS: BioCYC:
Vanillate Formula: C8H8O4 Exact Mass: 168.0423 Source ID: CNP0122021.0	CAS Registry: 121-34-6 KEGG: C06672 LipidMAPS: BioCYC:
4-Hydroxy-3-methoxy-benzaldehyde Formula: C8H8O3 Exact Mass: 152.0473 Source ID: CNP0270199.0	CAS Registry: 121-33-5 KEGG: C00755 LipidMAPS: BioCYC: VANILLIN
4-Methoxybenzoate Formula: C8H8O3 Exact Mass: 152.0473 Source ID: CNP0249583.0	CAS Registry: 100-09-4 KEGG: C02519 LipidMAPS: BioCYC: CPD-1076
Hexadecanoic acid Formula: C16H32O2 Exact Mass: 256.2402 Source ID: CNP0420987.0	CAS Registry: 57-10-3 KEGG: C00249 LipidMAPS: LMFA01010001 BioCYC: PALMITATE
N-Pentacosane Formula: C25H52 Exact Mass: 352.4069 Source ID: CNP0328343.0	CAS Registry: 629-99-2 KEGG: LipidMAPS: LMFA11000582 BioCYC: CPD-7944
Propan-2-ol Formula: C3H8O Exact Mass: 60.0575 Source ID: CNP0603430.0	CAS Registry: 67-63-0 KEGG: C01845 LipidMAPS: BioCYC: ISO-PROPANOL
N-cis-Feruloyltyramine Formula: C18H19NO4 Exact Mass: 313.1314 Source ID: CNP0278544.0	CAS Registry: 80510-09-4 KEGG: LipidMAPS: BioCYC:
alpha-Elemol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0192070.1	CAS Registry: 639-99-6 KEGG: LipidMAPS: BioCYC:
Palmitelaidic acid Formula: C16H30O2 Exact Mass: 254.2246 Source ID: CNP0307038.0	CAS Registry: 10030-73-6 KEGG: LipidMAPS: LMFA01030057 BioCYC:
Octadecanoic acid Formula: C18H36O2 Exact Mass: 284.2715 Source ID: CNP0396081.0	CAS Registry: 57-11-4 KEGG: C01530 LipidMAPS: LMFA01010018 BioCYC: STEARIC_ACID
Octadec-9-enoic Acid Formula: C18H34O2 Exact Mass: 282.2559 Source ID: CNP0142072.0	CAS Registry: 2027-47-6 KEGG: LipidMAPS: BioCYC:
Humulene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0263112.0	CAS Registry: 6753-98-6 KEGG: C09684 LipidMAPS: LMPR0103110001 BioCYC: CPD-8233
Dotriacontane Formula: C32H66 Exact Mass: 450.5164 Source ID: CNP0300860.0	CAS Registry: 544-85-4 KEGG: LipidMAPS: LMFA11000570 BioCYC:
Hentriacontane Formula: C31H64 Exact Mass: 436.5008 Source ID: CNP0197230.0	CAS Registry: 630-04-6 KEGG: C08376 LipidMAPS: LMFA11000573 BioCYC: CPD-7937
Tetradecanoic acid Formula: C14H28O2 Exact Mass: 228.2089 Source ID: CNP0262703.0	CAS Registry: 544-63-8 KEGG: C06424 LipidMAPS: LMFA01010014 BioCYC: CPD-7836
Heneicosane Formula: C21H44 Exact Mass: 296.3443 Source ID: CNP0342329.0	CAS Registry: 629-94-7 KEGG: LipidMAPS: LMFA11000572 BioCYC:
Hexacosane Formula: C26H54 Exact Mass: 366.4225 Source ID: CNP0227499.0	CAS Registry: 630-01-3 KEGG: LipidMAPS: LMFA11000576 BioCYC: CPD-9763
Tricosane Formula: C23H48 Exact Mass: 324.3756 Source ID: CNP0367486.0	CAS Registry: 638-67-5 KEGG: C17433 LipidMAPS: LMFA11000589 BioCYC: CPD-7947
Coniferin Formula: C16H22O8 Exact Mass: 342.1315 Source ID: CNP0400662.1	CAS Registry: 531-29-3 KEGG: C00761 LipidMAPS: BioCYC: CPD-1777
Decanoic acid Formula: C10H20O2 Exact Mass: 172.1463 Source ID: CNP0213238.0	CAS Registry: 334-48-5 KEGG: C01571 LipidMAPS: LMFA01010010 BioCYC: CPD-3617
Guaiol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0189004.1	CAS Registry: 489-86-1 KEGG: C09676 LipidMAPS: LMPR0103410007 BioCYC:
Lignocerane Formula: C24H50 Exact Mass: 338.3912 Source ID: CNP0366009.0	CAS Registry: 646-31-1 KEGG: LipidMAPS: LMFA11000585 BioCYC:
Heptacosane Formula: C27H56 Exact Mass: 380.4382 Source ID: CNP0159987.0	CAS Registry: 593-49-7 KEGG: C16045 LipidMAPS: LMFA11000574 BioCYC: CPD-7939
Rhamnocitrin Formula: C16H12O6 Exact Mass: 300.0634 Source ID: CNP0338598.0	CAS Registry: 569-92-6 KEGG: C17059 LipidMAPS: LMPK12112589 BioCYC:
Mangiferin Formula: C19H18O11 Exact Mass: 422.0849 Source ID: CNP0117445.1	CAS Registry: 4773-96-0 KEGG: C10077 LipidMAPS: BioCYC:
Syringic acid Formula: C9H10O5 Exact Mass: 198.0528 Source ID: CNP0155116.0	CAS Registry: 530-57-4 KEGG: C10833 LipidMAPS: BioCYC:
Ethyl linoleate Formula: C20H36O2 Exact Mass: 308.2715 Source ID: CNP0139692.0	CAS Registry: 7619-08-1 KEGG: LipidMAPS: BioCYC:
Coniferyl aldehyde Formula: C10H10O3 Exact Mass: 178.063 Source ID: CNP0326347.0	CAS Registry: 458-36-6 KEGG: C02666 LipidMAPS: BioCYC: CONIFERYL-ALDEHYDE
Cerotic acid Formula: C26H52O2 Exact Mass: 396.3967 Source ID: CNP0126420.0	CAS Registry: 506-46-7 KEGG: C21931 LipidMAPS: LMFA01010026 BioCYC:
Antiarol Formula: C9H12O4 Exact Mass: 184.0736 Source ID: CNP0285878.0	CAS Registry: 642-71-7 KEGG: C10765 LipidMAPS: BioCYC:
Norathyriol Formula: C13H8O6 Exact Mass: 260.0321 Source ID: CNP0294500.0	CAS Registry: 3542-72-1 KEGG: C10086 LipidMAPS: BioCYC:
Benzenediol Formula: C6H6O2 Exact Mass: 110.0368 Source ID: CNP0143972.0	CAS Registry: 12385-08-9 KEGG: C01785 LipidMAPS: BioCYC:
epi-Friedelanol Formula: C30H52O Exact Mass: 428.4018 Source ID: CNP0238564.2	CAS Registry: 16844-71-6 KEGG: C17123 LipidMAPS: BioCYC:
Indole-3-carboxaldehyde Formula: C9H7NO Exact Mass: 145.0528 Source ID: CNP0123546.0	CAS Registry: 487-89-8 KEGG: C08493 LipidMAPS: BioCYC: INDOLE-3-CARBOXALDEHYDE
3',8-Dihydroxy-4',6,7-trimethoxyisoflavone Formula: C18H16O7 Exact Mass: 344.0896 Source ID: CNP0158190.0	CAS Registry: 57800-11-0 KEGG: LipidMAPS: BioCYC:
Dibutyl phthalate Formula: C16H22O4 Exact Mass: 278.1518 Source ID: CNP0105770.0	CAS Registry: 84-74-2 KEGG: C14214 LipidMAPS: BioCYC:
(+)-Syringaresinol Formula: C22H26O8 Exact Mass: 418.1628 Source ID: CNP0249408.3	CAS Registry: 21453-69-0 KEGG: C10889 LipidMAPS: BioCYC: CPD-20971
Phenylpropanoate Formula: C9H10O2 Exact Mass: 150.0681 Source ID: CNP0298094.0	CAS Registry: 501-52-0 KEGG: C05629 LipidMAPS: BioCYC: 3-PHENYLPROPIONATE
Pentadecanoic acid Formula: C15H30O2 Exact Mass: 242.2246 Source ID: CNP0296248.0	CAS Registry: 1002-84-2 KEGG: C16537 LipidMAPS: LMFA01010015 BioCYC:
Ethyl oleate Formula: C20H38O2 Exact Mass: 310.2872 Source ID: CNP0199663.0	CAS Registry: 111-62-6 KEGG: C03425 LipidMAPS: LMFA07010880 BioCYC: CPD-14388
Ethyl hexadecanoate Formula: C18H36O2 Exact Mass: 284.2715 Source ID: CNP0248873.0	CAS Registry: 628-97-7 KEGG: LipidMAPS: LMFA07010471 BioCYC: CPD-19848
5Z-Dodecenoic acid Formula: C12H22O2 Exact Mass: 198.162 Source ID: CNP0163257.0	CAS Registry: 2430-94-6 KEGG: LipidMAPS: LMFA01030226 BioCYC:
Luteolin 7-methyl ether Formula: C16H12O6 Exact Mass: 300.0634 Source ID: CNP0394762.0	CAS Registry: 20243-59-8 KEGG: LipidMAPS: LMPK12111045 BioCYC:
Formula: C57H100O8 Exact Mass: 912.7418 Source ID: CNP0077994.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
DTXSID30737998 Formula: C11H14O3 Exact Mass: 194.0943 Source ID: CNP0141712.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
11-Oxo-beta-amyrin Formula: C30H48O2 Exact Mass: 440.3654 Source ID: CNP0290562.2	CAS Registry: 38242-02-3 KEGG: C19943 LipidMAPS: BioCYC:
OONKKRRSPIDEBA-JQWIXIFHSA-N Formula: C15H22O Exact Mass: 218.1671 Source ID: CNP0161569.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
2-Hydroxycyclopentadecanone Formula: C15H28O2 Exact Mass: 240.2089 Source ID: CNP0524324.0	CAS Registry: 4727-18-8 KEGG: LipidMAPS: BioCYC:
alpha-Sinensal Formula: C15H22O Exact Mass: 218.1671 Source ID: CNP0111345.0	CAS Registry: 17909-77-2 KEGG: C09729 LipidMAPS: BioCYC:
(3E,6R)-6-[(1R,11S,13R,15R)-4,13-dihydroxy-1,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,7-dien-14-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate Formula: C32H44O8 Exact Mass: 556.3036 Source ID: CNP0210262.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Yuankanin Formula: C27H30O14 Exact Mass: 578.1635 Source ID: CNP0257580.1	CAS Registry: 77099-20-8 KEGG: LipidMAPS: BioCYC:
5-hydroxy-6-methoxy-2-(2-phenylethyl)chromen-4-one Formula: C18H16O4 Exact Mass: 296.1049 Source ID: CNP0339277.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Heptadecanoic acid Formula: C17H34O2 Exact Mass: 270.2559 Source ID: CNP0215617.0	CAS Registry: 506-12-7 KEGG: LipidMAPS: LMFA01010017 BioCYC: CPD-7830
Hinesol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0209626.1	CAS Registry: 23811-08-7 KEGG: C16970 LipidMAPS: BioCYC:
Hinesol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0209626.2	CAS Registry: 23811-08-7 KEGG: C16970 LipidMAPS: BioCYC:
Formula: C30H44O7 Exact Mass: 516.3087 Source ID: CNP0193607.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Docosane Formula: C22H46 Exact Mass: 310.3599 Source ID: CNP0263508.0	CAS Registry: 629-97-0 KEGG: LipidMAPS: LMFA11000569 BioCYC:
Isocaryophyllene oxide Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0274815.4	CAS Registry: KEGG: LipidMAPS: BioCYC:
Costunolide Formula: C15H20O2 Exact Mass: 232.1463 Source ID: CNP0160574.2	CAS Registry: 553-21-9 KEGG: C09382 LipidMAPS: BioCYC:
Hinesol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0209626.3	CAS Registry: 23811-08-7 KEGG: C16970 LipidMAPS: BioCYC:
Justicidin A Formula: C22H18O7 Exact Mass: 394.1052 Source ID: CNP0284605.0	CAS Registry: 25001-57-4 KEGG: C10633 LipidMAPS: BioCYC:
Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0349238.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0349238.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
T-Muurolol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0076221.0	CAS Registry: 19912-62-0 KEGG: LipidMAPS: BioCYC:
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[4-[2-(13-ethyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethynyl]phenyl]methoxymethyl]-4-hydroxypyrimidin-2-one Formula: C44H52N2O5 Exact Mass: 688.3876 Source ID: CNP0596682.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Eicosane Formula: C20H42 Exact Mass: 282.3286 Source ID: CNP0228467.0	CAS Registry: 112-95-8 KEGG: LipidMAPS: LMFA11000571 BioCYC: CPD-14231
L-erythro-isocitric acid Formula: C6H8O7 Exact Mass: 192.027 Source ID: CNP0271038.2	CAS Registry: 1187-17-3 KEGG: LipidMAPS: BioCYC:
Epi-Friedelanol Formula: C30H52O Exact Mass: 428.4018 Source ID: CNP0238564.3	CAS Registry: 5085-72-3 KEGG: LipidMAPS: BioCYC:
84294-87-1 Formula: C19H18O4 Exact Mass: 310.1205 Source ID: CNP0299738.0	CAS Registry: 13293-49-7 KEGG: LipidMAPS: BioCYC:
Humulene diepoxide A Formula: C15H24O2 Exact Mass: 236.1776 Source ID: CNP0131609.1	CAS Registry: 118899-63-1 KEGG: LipidMAPS: BioCYC:
Metolachlor OA Formula: C15H21NO4 Exact Mass: 279.1471 Source ID: CNP0076695.0	CAS Registry: 152019-73-3 KEGG: LipidMAPS: BioCYC:
Kobusone Formula: C14H22O2 Exact Mass: 222.162 Source ID: CNP0149728.1	CAS Registry: 24173-71-5 KEGG: C16983 LipidMAPS: BioCYC:
2,6-Dimethyl-10-methylene-12-oxatricyclo[7.3.1.0(1,6)]tridec-2-ene Formula: C15H22O Exact Mass: 218.1671 Source ID: CNP0076303.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Lethedoside A Formula: C24H26O11 Exact Mass: 490.1475 Source ID: CNP0312273.1	CAS Registry: 221289-20-9 KEGG: LipidMAPS: LMPK12111061 BioCYC:
PDSNLYSELAIEBU-PQNSMMMDSA-N Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0253868.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Balaphonin Formula: C20H20O6 Exact Mass: 356.126 Source ID: CNP0172006.1	CAS Registry: 118916-57-7 KEGG: LipidMAPS: BioCYC: CPD-18967
(2r)-2-(2-hydroxypropan-2-yl)-10-methylspiro[4.5]dec-6-ene-6-carboxylic acid Formula: C15H24O3 Exact Mass: 252.1725 Source ID: CNP0102675.1	CAS Registry: 84210-00-4 KEGG: LipidMAPS: BioCYC:
gamma-Eudesmol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0267962.1	CAS Registry: 1209-71-8 KEGG: C17124 LipidMAPS: BioCYC: CPD-11433
Formula: C17H24O9 Exact Mass: 372.142 Source ID: CNP0225577.3	CAS Registry: KEGG: LipidMAPS: BioCYC:
6-HYDROXY-2-PHENETHYL CHROMONE Formula: C17H14O3 Exact Mass: 266.0943 Source ID: CNP0162569.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Hinesol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0209626.5	CAS Registry: 23811-08-7 KEGG: C16970 LipidMAPS: BioCYC:
Octacosane Formula: C28H58 Exact Mass: 394.4538 Source ID: CNP0298040.0	CAS Registry: 630-02-4 KEGG: LipidMAPS: LMFA11000580 BioCYC: CPD-9765
Formula: C18H16O11 Exact Mass: 408.0693 Source ID: CNP0132472.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0182211.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
626236-06-4 Formula: C17H17ClO5 Exact Mass: 336.0764 Source ID: CNP0300840.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Flindersiachromone Formula: C17H14O2 Exact Mass: 250.0994 Source ID: CNP0155310.0	CAS Registry: 61828-53-3 KEGG: C09007 LipidMAPS: BioCYC:
Diisobutyl phthalate Formula: C16H22O4 Exact Mass: 278.1518 Source ID: CNP0124414.0	CAS Registry: 84-69-5 KEGG: C15205 LipidMAPS: BioCYC:
Tanshinone I Formula: C18H12O3 Exact Mass: 276.0786 Source ID: CNP0298404.0	CAS Registry: 568-73-0 KEGG: LipidMAPS: BioCYC:
Nonanoic acid Formula: C9H18O2 Exact Mass: 158.1307 Source ID: CNP0128686.0	CAS Registry: 112-05-0 KEGG: C01601 LipidMAPS: LMFA01010009 BioCYC: CPD-8505
Cucurbitacin I Formula: C30H42O7 Exact Mass: 514.293 Source ID: CNP0242459.1	CAS Registry: 2222-07-3 KEGG: C08800 LipidMAPS: LMST01010110 BioCYC:
Daidzin 4'-O-glucuronide Formula: C27H28O15 Exact Mass: 592.1428 Source ID: CNP0399626.1	CAS Registry: 221257-06-3 KEGG: LipidMAPS: BioCYC:
Formula: C28H32O15 Exact Mass: 608.1741 Source ID: CNP0102567.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C22H20O13 Exact Mass: 492.0904 Source ID: CNP0226250.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
1,2,3,4-Tetrahydro-1-nonylnaphthalene Formula: C19H30 Exact Mass: 258.2347 Source ID: CNP0187538.0	CAS Registry: 33425-49-9 KEGG: LipidMAPS: BioCYC:
Formula: C20H32O3 Exact Mass: 320.2351 Source ID: CNP0105195.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Guaia-1(10),11-dien-9-one Formula: C15H22O Exact Mass: 218.1671 Source ID: CNP0076354.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Corosolic acid Formula: C30H48O4 Exact Mass: 472.3552 Source ID: CNP0215187.5	CAS Registry: 4547-24-4 KEGG: LipidMAPS: BioCYC:
7-hydroxy-3-(4-methoxyphenyl)chromen-4-one Formula: C16H12O4 Exact Mass: 268.0736 Source ID: CNP0518921.0	CAS Registry: n/a KEGG: LipidMAPS: BioCYC:
Formula: C15H26O2 Exact Mass: 238.1933 Source ID: CNP0168700.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1S,3R,5S,8S,9S,12R,13S,14S)-1-Hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1S,3R,5S,8S,9S,12R,13S,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione Formula: C15H18O7.C15H16O6 Exact Mass: 602.1999 Source ID: CNP0522542.2	CAS Registry: 124-87-8 KEGG: LipidMAPS: BioCYC:
Diepi-.alpha.-cedrene epoxide Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0142293.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Nootkatone Formula: C15H22O Exact Mass: 218.1671 Source ID: CNP0172364.1	CAS Registry: 4674-50-4 KEGG: C17914 LipidMAPS: BioCYC: CPD-18925
3-Hydroxystigmast-5-en-7-one Formula: C29H48O2 Exact Mass: 428.3654 Source ID: CNP0130819.1	CAS Registry: 2034-74-4 KEGG: LipidMAPS: BioCYC:
Formula: C30H48O7 Exact Mass: 520.34 Source ID: CNP0200506.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
125092-36-6 Formula: C18H16O4 Exact Mass: 296.1049 Source ID: CNP0262065.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Agarospirol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0209626.6	CAS Registry: 1460-73-7 KEGG: LipidMAPS: BioCYC:
Formula: C30H50O Exact Mass: 426.3861 Source ID: CNP0240312.8	CAS Registry: KEGG: LipidMAPS: BioCYC:
Longifolene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0253868.3	CAS Registry: 475-20-7 KEGG: C09699 LipidMAPS: LMPR0103500001 BioCYC: CPD-8701
QSPL 173 Formula: C30H50 Exact Mass: 410.3912 Source ID: CNP0365938.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2R,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Formula: C10H13N5O4 Exact Mass: 267.0967 Source ID: CNP0216822.5	CAS Registry: KEGG: LipidMAPS: BioCYC:
5,7-Dimethoxyflavone Formula: C17H14O4 Exact Mass: 282.0892 Source ID: CNP0207359.0	CAS Registry: 21392-57-4 KEGG: C10029 LipidMAPS: LMPK12110188 BioCYC:
2,4-Di-tert-butylphenol Formula: C14H22O Exact Mass: 206.1671 Source ID: CNP0177836.0	CAS Registry: 96-76-4 KEGG: LipidMAPS: BioCYC:
(4aS,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Formula: C30H48O4 Exact Mass: 472.3552 Source ID: CNP0170966.3	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C35H60O6 Exact Mass: 576.439 Source ID: CNP0324146.17	CAS Registry: KEGG: LipidMAPS: BioCYC:
Cucurbitacin B Formula: C32H46O8 Exact Mass: 558.3193 Source ID: CNP0246403.3	CAS Registry: 6199-67-3 KEGG: C08794 LipidMAPS: LMST01010104 BioCYC: CPD-5202
Buddlenoid A Formula: C30H26O13 Exact Mass: 594.1373 Source ID: CNP0419078.1	CAS Registry: 142750-32-1 KEGG: LipidMAPS: BioCYC:
4-hydroxy-2-methylbenzoic acid Formula: C8H8O3 Exact Mass: 152.0473 Source ID: CNP0075319.0	CAS Registry: 578-39-2 KEGG: LipidMAPS: BioCYC:
Benzylacetone Formula: C10H12O Exact Mass: 148.0888 Source ID: CNP0182353.0	CAS Registry: 2550-26-7 KEGG: LipidMAPS: BioCYC: CPD-23645
Formula: C18H19ClO7 Exact Mass: 382.0819 Source ID: CNP0362174.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(-)-Salsolinol Formula: C10H13NO2 Exact Mass: 179.0946 Source ID: CNP0514651.1	CAS Registry: 27740-96-1 KEGG: C09642 LipidMAPS: BioCYC: CPD-20748
Methyl linoleate Formula: C19H34O2 Exact Mass: 294.2559 Source ID: CNP0237546.0	CAS Registry: 112-63-0 KEGG: LipidMAPS: BioCYC:
13-Acetylphorbol Formula: C22H30O7 Exact Mass: 406.1991 Source ID: CNP0196272.1	CAS Registry: 32752-29-7 KEGG: LipidMAPS: BioCYC:
Cucurbitacin D Formula: C30H44O7 Exact Mass: 516.3087 Source ID: CNP0219159.2	CAS Registry: 3877-86-9 KEGG: C08796 LipidMAPS: LMST01010106 BioCYC:
Formula: C23H28O10 Exact Mass: 464.1682 Source ID: CNP0314276.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(-)-Caryophyllene Oxide Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0274815.7	CAS Registry: 1139-30-6 KEGG: LipidMAPS: BioCYC:
Bicyclo[7.2.0]undec-3-en-5-ol, 4,11,11-trimethyl-8-methylene-, (1R,3Z,5S,9S)-rel- Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0126971.3	CAS Registry: 73088-51-4 KEGG: LipidMAPS: BioCYC:
Clovane-2beta,9alpha-diol Formula: C15H26O2 Exact Mass: 238.1933 Source ID: CNP0168700.2	CAS Registry: 2649-64-1 KEGG: LipidMAPS: LMPR0103710001 BioCYC:
Isopimaradienol Formula: C20H32O Exact Mass: 288.2453 Source ID: CNP0311401.3	CAS Registry: 83692-05-1 KEGG: C18221 LipidMAPS: LMPR0104080008 BioCYC: CPD-8726
Selina-3,11-dien-14-al Formula: C15H22O Exact Mass: 218.1671 Source ID: CNP0374152.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Methyl 7-Oxodehydroabietate Formula: C21H28O3 Exact Mass: 328.2038 Source ID: CNP0250857.1	CAS Registry: 17751-36-9 KEGG: LipidMAPS: BioCYC:
(1R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11(3aH,11aH)-dione Formula: C19H22O3 Exact Mass: 298.1569 Source ID: CNP0086124.1	CAS Registry: 64091-05-0 KEGG: LipidMAPS: BioCYC:
Koaburaside Formula: C14H20O9 Exact Mass: 332.1107 Source ID: CNP0203978.2	CAS Registry: 41653-73-0 KEGG: LipidMAPS: BioCYC:
Caruilignan D Formula: C14H16O6 Exact Mass: 280.0947 Source ID: CNP0240876.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Longifolene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0253868.4	CAS Registry: 475-20-7 KEGG: C09699 LipidMAPS: LMPR0103500001 BioCYC: CPD-8701
alpha-Selinene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0141319.4	CAS Registry: 473-13-2 KEGG: C22044 LipidMAPS: BioCYC: Alpha-selinene
Sophoraflavanone B Formula: C20H20O5 Exact Mass: 340.1311 Source ID: CNP0105703.0	CAS Registry: 53846-50-7 KEGG: C18023 LipidMAPS: LMPK12140279 BioCYC: CPD-9440
Longifolene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0253868.5	CAS Registry: 475-20-7 KEGG: C09699 LipidMAPS: LMPR0103500001 BioCYC: CPD-8701
Tramadol Formula: C16H25NO2 Exact Mass: 263.1885 Source ID: CNP0119774.1	CAS Registry: 27203-92-5 KEGG: C07153 LipidMAPS: BioCYC:
4-(4-Methoxyphenyl)-2-butanone Formula: C11H14O2 Exact Mass: 178.0994 Source ID: CNP0123166.0	CAS Registry: 104-20-1 KEGG: LipidMAPS: BioCYC:
Formula: C20H24O6 Exact Mass: 360.1573 Source ID: CNP0193057.5	CAS Registry: KEGG: LipidMAPS: BioCYC:
Methyl dehydroabietate Formula: C21H30O2 Exact Mass: 314.2246 Source ID: CNP0134037.1	CAS Registry: 1235-74-1 KEGG: LipidMAPS: BioCYC:
Pectolinarin Formula: C29H34O15 Exact Mass: 622.1898 Source ID: CNP0247416.1	CAS Registry: 28978-02-1 KEGG: LipidMAPS: BioCYC:
Formula: C15H22O Exact Mass: 218.1671 Source ID: CNP0270263.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one Formula: C16H14O5 Exact Mass: 286.0841 Source ID: CNP0163749.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
theograndin II Formula: C21H18O16S Exact Mass: 558.0316 Source ID: CNP0283784.1	CAS Registry: 637004-63-8 KEGG: LipidMAPS: BioCYC:
Formula: C30H32O9 Exact Mass: 536.2046 Source ID: CNP0527465.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
6,7-dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone Formula: C17H18O4 Exact Mass: 286.1205 Source ID: CNP0163164.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Guaiol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0189004.3	CAS Registry: 489-86-1 KEGG: C09676 LipidMAPS: LMPR0103410007 BioCYC:
(9I(2),10I+/-,16I+/-)-2,16-Dihydroxy-4,4,9,14-tetramethyl-19-norpregna-1,5-diene-3,11,20-trione Formula: C24H32O5 Exact Mass: 400.225 Source ID: CNP0287092.1	CAS Registry: 55873-25-1 KEGG: LipidMAPS: BioCYC:
cis-p-Mentha-1(7),8-dien-2-ol Formula: C10H16O Exact Mass: 152.1201 Source ID: CNP0254042.2	CAS Registry: 13544-59-7 KEGG: LipidMAPS: BioCYC:
Formula: C16H18O5 Exact Mass: 290.1154 Source ID: CNP0273226.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C15H24O2 Exact Mass: 236.1776 Source ID: CNP0392825.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C18H20O8 Exact Mass: 364.1158 Source ID: CNP0224308.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C11H18O2 Exact Mass: 182.1307 Source ID: CNP0101195.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
beta-Caryophyllene alcohol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0520027.0	CAS Registry: 472-97-9 KEGG: LipidMAPS: BioCYC:
Lethedoside A Formula: C24H26O11 Exact Mass: 490.1475 Source ID: CNP0312273.2	CAS Registry: 221289-20-9 KEGG: LipidMAPS: LMPK12111061 BioCYC:
Epicubenol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0241890.5	CAS Registry: 19912-67-5 KEGG: LipidMAPS: BioCYC:
.alpha.-Agarofuran Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0117605.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
3-Epioleanolic acid Formula: C30H48O3 Exact Mass: 456.3603 Source ID: CNP0243832.1	CAS Registry: 25499-90-5 KEGG: LipidMAPS: LMPR0106150020 BioCYC:
Caryophyllene oxide 2 Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0274815.8	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C25H30O14 Exact Mass: 554.1635 Source ID: CNP0076253.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Epoxyguaiene Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0121298.2	CAS Registry: 10410-05-6 KEGG: LipidMAPS: BioCYC:
Formula: C15H24O3 Exact Mass: 252.1725 Source ID: CNP0281092.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Isobatatasin I Formula: C17H16O4 Exact Mass: 284.1049 Source ID: CNP0294749.0	CAS Registry: 39499-84-8 KEGG: C10265 LipidMAPS: BioCYC:
(-)-longifolene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0253868.6	CAS Registry: 16846-09-6 KEGG: LipidMAPS: LMPR0103500018 BioCYC:
4',5,7-Trimethoxyflavone Formula: C18H16O5 Exact Mass: 312.0998 Source ID: CNP0103321.0	CAS Registry: 5631-70-9 KEGG: C14985 LipidMAPS: LMPK12111071 BioCYC:
Selina-4,11-dien-14-al Formula: C15H22O Exact Mass: 218.1671 Source ID: CNP0156479.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(+)-longifolene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0253868.7	CAS Registry: 475-20-7 KEGG: LipidMAPS: LMPR0103500017 BioCYC:
Formula: C20H22O5 Exact Mass: 342.1467 Source ID: CNP0198501.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
6-METHOXY-2-PHENETHYLCHROMONE Formula: C18H16O3 Exact Mass: 280.1099 Source ID: CNP0319349.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
ROSIN Formula: C15H20O6 Exact Mass: 296.126 Source ID: CNP0142682.1	CAS Registry: 85026-55-7 KEGG: LipidMAPS: BioCYC:
Ciwujiatone Formula: C22H26O9 Exact Mass: 434.1577 Source ID: CNP0278915.1	CAS Registry: 218901-26-9 KEGG: LipidMAPS: BioCYC:
(1R,13R,14S,21S)-14,21-dihydroxy-17-[2-(4-methoxyphenyl)ethyl]-6-(2-phenylethyl)-7,12,16-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15(20),17-hexaene-4,19-dione Formula: C35H30O8 Exact Mass: 578.1941 Source ID: CNP0350636.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1R,13R,14S,21S)-3,14,21-trihydroxy-8,17-bis[2-(4-methoxyphenyl)ethyl]-9,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2,4,7,10,15(20),17-hexaene-6,19-dione Formula: C36H32O10 Exact Mass: 624.1995 Source ID: CNP0479686.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
alpha-Eudesmol Formula: C15H26O Exact Mass: 222.1984 Source ID: CNP0210543.1	CAS Registry: 473-16-5 KEGG: C09663 LipidMAPS: BioCYC: CPD-11430
(1S,8R,9S,17R)-8,17-dihydroxy-12-methoxy-15-[2-(6-methoxy-4-oxochromen-2-yl)ethyl]-5-[2-(4-methoxyphenyl)ethyl]-6,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),4,11,13,15-pentaen-3-one Formula: C37H34O10 Exact Mass: 638.2152 Source ID: CNP0571524.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1R,8S,9R,17S)-8,17-dihydroxy-12-methoxy-15-[2-(6-methoxy-4-oxochromen-2-yl)ethyl]-5-(2-phenylethyl)-6,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),4,11,13,15-pentaen-3-one Formula: C36H32O9 Exact Mass: 608.2046 Source ID: CNP0584978.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1S,8R,9S,17R)-8,17-dihydroxy-12-methoxy-15-[2-(6-methoxy-4-oxochromen-2-yl)ethyl]-5-(2-phenylethyl)-6,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),4,11,13,15-pentaen-3-one Formula: C36H32O9 Exact Mass: 608.2046 Source ID: CNP0584978.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1R,13R,14S,21S)-14,21-dihydroxy-17-[2-(4-methoxyphenyl)ethyl]-7-(2-phenylethyl)-6,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),3,5(10),7,15(20),17-hexaene-9,19-dione Formula: C35H30O8 Exact Mass: 578.1941 Source ID: CNP0563028.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1S,13S,14R,21R)-14,21-dihydroxy-6,17-bis(2-phenylethyl)-7,12,16-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15(20),17-hexaene-4,19-dione Formula: C34H28O7 Exact Mass: 548.1835 Source ID: CNP0551118.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1R,13R,14S,21S)-14,21-dihydroxy-8,17-bis(2-phenylethyl)-9,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),3,5(10),7,15(20),17-hexaene-6,19-dione Formula: C34H28O7 Exact Mass: 548.1835 Source ID: CNP0481370.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1S,13S,14R,21R)-14,21-dihydroxy-7,17-bis(2-phenylethyl)-6,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),3,5(10),7,15(20),17-hexaene-9,19-dione Formula: C34H28O7 Exact Mass: 548.1835 Source ID: CNP0577675.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
8-chloro-5,6,7-trihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one Formula: C18H15ClO6 Exact Mass: 362.0557 Source ID: CNP0510492.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1S,8R,9S,17R)-8,17-dihydroxy-13-[2-(6-methoxy-4-oxochromen-2-yl)ethyl]-5-(2-phenylethyl)-6,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),4,11(16),12,14-pentaen-3-one Formula: C35H30O8 Exact Mass: 578.1941 Source ID: CNP0539820.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1S,13S,14R,21R)-14,21-dihydroxy-8,17-bis(2-phenylethyl)-9,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),3,5(10),7,15(20),17-hexaene-6,19-dione Formula: C34H28O7 Exact Mass: 548.1835 Source ID: CNP0481370.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1R,13R,14S,21S)-14,21-dihydroxy-6,17-bis(2-phenylethyl)-7,12,16-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15(20),17-hexaene-4,19-dione Formula: C34H28O7 Exact Mass: 548.1835 Source ID: CNP0551118.2	CAS Registry: KEGG: LipidMAPS: BioCYC: