Prorocentrum micans (species) - 数据之源，洞见之始

Prorocentrum micans

ncbi_taxid: 2945 - Prorocentrum micans(species); all_childs:

taxonomy name: Prorocentrum micans (species)
ancestor: Prorocentrum (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:
Rutin Formula: C27H30O16 Exact Mass: 610.1534 Source ID: CNP0268715.1	CAS Registry: 153-18-4 KEGG: C05625 LipidMAPS: LMPK12112098 BioCYC: RUTIN
4-Hydroxybenzaldehyde Formula: C7H6O2 Exact Mass: 122.0368 Source ID: CNP0230702.0	CAS Registry: 123-08-0 KEGG: C00633 LipidMAPS: BioCYC: 4-HYDROXYBENZALDEHYDE
Kaempferitrin Formula: C27H30O14 Exact Mass: 578.1635 Source ID: CNP0219489.1	CAS Registry: 482-38-2 KEGG: C16981 LipidMAPS: LMPK12111865 BioCYC: kaempferol-3-rhamnoside-7-rhamnoside
Kaempferol Formula: C15H10O6 Exact Mass: 286.0477 Source ID: CNP0292269.0	CAS Registry: 520-18-3 KEGG: C05903 LipidMAPS: LMPK12110003 BioCYC: CPD1F-90
Quercetin Formula: C15H10O7 Exact Mass: 302.0427 Source ID: CNP0103504.0	CAS Registry: 117-39-5 KEGG: C00389 LipidMAPS: LMPK12110004 BioCYC: CPD-520
Isoquercitrin Formula: C21H20O12 Exact Mass: 464.0955 Source ID: CNP0180599.2	CAS Registry: 21637-25-2 KEGG: C05623 LipidMAPS: LMPK12112086 BioCYC:
beta-Caryophyllene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0212910.1	CAS Registry: 87-44-5 KEGG: C09629 LipidMAPS: LMPR0103120001 BioCYC: CPD-8230
Gallate Formula: C7H6O5 Exact Mass: 170.0215 Source ID: CNP0133244.0	CAS Registry: 149-91-7 KEGG: C01424 LipidMAPS: BioCYC: CPD-183
Phloroglucinol Formula: C6H6O3 Exact Mass: 126.0317 Source ID: CNP0299558.0	CAS Registry: 108-73-6 KEGG: C02183 LipidMAPS: BioCYC: CPD-16
Caffeate Formula: C9H8O4 Exact Mass: 180.0423 Source ID: CNP0186784.0	CAS Registry: 331-39-5 KEGG: C01481 LipidMAPS: BioCYC: CPD-8098
4-Coumarate Formula: C9H8O3 Exact Mass: 164.0473 Source ID: CNP0255341.0	CAS Registry: 7400-08-0 KEGG: C00811 LipidMAPS: BioCYC:
(-)-Epicatechin Formula: C15H14O6 Exact Mass: 290.079 Source ID: CNP0293352.2	CAS Registry: 490-46-0 KEGG: C09727 LipidMAPS: LMPK12020003 BioCYC: CPD-7630
4-Hydroxybenzoate Formula: C7H6O3 Exact Mass: 138.0317 Source ID: CNP0253685.0	CAS Registry: 99-96-7 KEGG: C00156 LipidMAPS: BioCYC:
Xanthohumol Formula: C21H22O5 Exact Mass: 354.1467 Source ID: CNP0228690.0	CAS Registry: 6754-58-1 KEGG: C16417 LipidMAPS: LMPK12120294 BioCYC: CPD-7119
(+)-Catechin Formula: C15H14O6 Exact Mass: 290.079 Source ID: CNP0293352.3	CAS Registry: 154-23-4 KEGG: C06562 LipidMAPS: LMPK12020001 BioCYC: CPD-1961
Phloretin Formula: C15H14O5 Exact Mass: 274.0841 Source ID: CNP0379475.0	CAS Registry: 60-82-2 KEGG: C00774 LipidMAPS: LMPK12120525 BioCYC: PHLORETIN
Dimethyl trisulfide Formula: C2H6S3 Exact Mass: 125.9632 Source ID: CNP0486985.0	CAS Registry: 3658-80-8 KEGG: C08372 LipidMAPS: BioCYC:
3-Methylbutanol Formula: C5H12O Exact Mass: 88.0888 Source ID: CNP0115711.0	CAS Registry: 123-51-3 KEGG: C07328 LipidMAPS: LMFA05000108 BioCYC: CPD-7032
beta-Farnesene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0242426.0	CAS Registry: 18794-84-8 KEGG: C09666 LipidMAPS: LMFA11000040 BioCYC: CPD-8239
Dihydroxybenzoic acid Formula: C7H6O4 Exact Mass: 154.0266 Source ID: CNP0348948.0	CAS Registry: 303-38-8 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
Kaempferol 3-O-glucoside Formula: C21H20O11 Exact Mass: 448.1006 Source ID: CNP0187953.2	CAS Registry: 480-10-4 KEGG: C12249 LipidMAPS: LMPK12111725 BioCYC: CPD1F-453
Pentane Formula: C5H12 Exact Mass: 72.0939 Source ID: CNP0486380.0	CAS Registry: 109-66-0 KEGG: LipidMAPS: LMFA11000583 BioCYC: CPD-9285
p-Coumaroyl quinic acid Formula: C16H18O8 Exact Mass: 338.1002 Source ID: CNP0215883.1	CAS Registry: 1899-30-5 KEGG: C12208 LipidMAPS: BioCYC:
Isopentacosane Formula: C25H52 Exact Mass: 352.4069 Source ID: CNP0211273.0	CAS Registry: 1560-78-7 KEGG: LipidMAPS: LMFA11000352 BioCYC:
2-Nonanone Formula: C9H18O Exact Mass: 142.1358 Source ID: CNP0364677.0	CAS Registry: 821-55-6 KEGG: LipidMAPS: LMFA12000052 BioCYC: CPD-18989
2-Pentadecanone Formula: C15H30O Exact Mass: 226.2297 Source ID: CNP0264327.0	CAS Registry: 2345-28-0 KEGG: LipidMAPS: LMFA12000056 BioCYC: CPD-7898
Procyanidin B3 Formula: C30H26O12 Exact Mass: 578.1424 Source ID: CNP0192174.2	CAS Registry: 23567-23-9 KEGG: C10209 LipidMAPS: LMPK12030003 BioCYC: CPD-7631
Octane Formula: C8H18 Exact Mass: 114.1408 Source ID: CNP0286567.0	CAS Registry: 111-65-9 KEGG: C01387 LipidMAPS: LMFA11000002 BioCYC: CPD-148
Procyanidin B2 Formula: C30H26O12 Exact Mass: 578.1424 Source ID: CNP0192174.3	CAS Registry: 29106-49-8 KEGG: C17639 LipidMAPS: LMPK12030002 BioCYC: CPD-1981
Lonchocarpol A Formula: C25H28O5 Exact Mass: 408.1937 Source ID: CNP0233287.1	CAS Registry: 68236-11-3 KEGG: C09724 LipidMAPS: LMPK12140276 BioCYC:
Procyanidin B4 Formula: C30H26O12 Exact Mass: 578.1424 Source ID: CNP0192174.4	CAS Registry: 29106-51-2 KEGG: C10238 LipidMAPS: LMPK12030004 BioCYC:
alpha-Amyrin Formula: C30H50O Exact Mass: 426.3861 Source ID: CNP0299272.4	CAS Registry: 638-95-9 KEGG: C08615 LipidMAPS: LMPR0106170001 BioCYC: CPD-8250
Lupeol Formula: C30H50O Exact Mass: 426.3861 Source ID: CNP0269715.3	CAS Registry: 545-47-1 KEGG: C08628 LipidMAPS: LMPR0106130001 BioCYC: CPD-90
Kaempferol-3-O-rutinoside Formula: C27H30O15 Exact Mass: 594.1585 Source ID: CNP0222584.2	CAS Registry: 17650-84-9 KEGG: C21833 LipidMAPS: LMPK12111734 BioCYC: CPD-15072
Epicatechin-(4beta->8)-ent-epicatechin Formula: C30H26O12 Exact Mass: 578.1424 Source ID: CNP0192174.5	CAS Registry: 82262-99-5 KEGG: C10221 LipidMAPS: LMPK12030001 BioCYC:
Isoxanthohumol Formula: C21H22O5 Exact Mass: 354.1467 Source ID: CNP0229713.1	CAS Registry: 72247-79-1 KEGG: C22606 LipidMAPS: LMPK12140553 BioCYC:
Selina-3,7(11)-diene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0125715.1	CAS Registry: 6813-21-4 KEGG: LipidMAPS: BioCYC:
Quercetin 3-O-(6-O-malonyl-beta-D-glucoside) Formula: C24H22O15 Exact Mass: 550.0959 Source ID: CNP0402602.1	CAS Registry: 96862-01-0 KEGG: C12638 LipidMAPS: LMPK12112139 BioCYC:
Lupulone Formula: C26H38O4 Exact Mass: 414.277 Source ID: CNP0278093.0	CAS Registry: 468-28-0 KEGG: C10706 LipidMAPS: BioCYC: CPD-7110
Phlorisovalerophenone Formula: C11H14O4 Exact Mass: 210.0892 Source ID: CNP0210081.0	CAS Registry: 26103-97-9 KEGG: C07350 LipidMAPS: BioCYC: 3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN
1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one Formula: C21H24O5 Exact Mass: 356.1624 Source ID: CNP0308376.0	CAS Registry: 102448-00-0 KEGG: LipidMAPS: BioCYC:
Isolariciresinol 9-O-beta-D-glucoside Formula: C26H34O11 Exact Mass: 522.2101 Source ID: CNP0249860.1	CAS Registry: 63358-11-2 KEGG: LipidMAPS: BioCYC:
Desmethylxanthohumol Formula: C20H20O5 Exact Mass: 340.1311 Source ID: CNP0224000.0	CAS Registry: 115063-39-3 KEGG: C16416 LipidMAPS: BioCYC:
Formula: C27H32O7 Exact Mass: 468.2148 Source ID: CNP0257715.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C21H22O6 Exact Mass: 370.1416 Source ID: CNP0103650.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C26H38O5 Exact Mass: 430.2719 Source ID: CNP0203294.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Isodehydrocycloxanthohumol hydrate Formula: C21H22O5 Exact Mass: 354.1467 Source ID: CNP0151733.0	CAS Registry: KEGG: LipidMAPS: LMPK12120298 BioCYC:
Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0141319.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
alpha-Cadinene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0163726.3	CAS Registry: 24406-05-1 KEGG: C16815 LipidMAPS: BioCYC: CPD-8788
Formula: C30H48O Exact Mass: 424.3705 Source ID: CNP0221046.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C21H24O6 Exact Mass: 372.1573 Source ID: CNP0210914.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Xanthohumol C Formula: C21H20O5 Exact Mass: 352.1311 Source ID: CNP0118093.0	CAS Registry: 189299-05-6 KEGG: LipidMAPS: LMPK12120297 BioCYC: CPD-7128
Xanthogalenol Formula: C21H22O5 Exact Mass: 354.1467 Source ID: CNP0331740.0	CAS Registry: 265659-35-6 KEGG: LipidMAPS: LMPK12120307 BioCYC: CPD-7121
Formula: C30H32O19 Exact Mass: 696.1538 Source ID: CNP0112417.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
PVYFCGRBIREQLL-DTWKUNHWSA-N Formula: C10H20O2 Exact Mass: 172.1463 Source ID: CNP0303745.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
2-Oxohexane Formula: C6H12O Exact Mass: 100.0888 Source ID: CNP0194685.0	CAS Registry: 591-78-6 KEGG: LipidMAPS: LMFA12000048 BioCYC: 2K-ADIPATE
(2S)-2-methylbutyl 2-methylpropanoate Formula: C9H18O2 Exact Mass: 158.1307 Source ID: CNP0174044.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
3-Methylpentan-2-one Formula: C6H12O Exact Mass: 100.0888 Source ID: CNP0151175.1	CAS Registry: 565-61-7 KEGG: LipidMAPS: LMFA12000027 BioCYC:
(E)-1-[(5R,6R)-4,6-dihydroxy-5-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-methoxycyclohexa-1,3-dien-1-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one Formula: C21H24O6 Exact Mass: 372.1573 Source ID: CNP0326338.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Sophoraflavanone B Formula: C20H20O5 Exact Mass: 340.1311 Source ID: CNP0273317.1	CAS Registry: 53846-50-7 KEGG: C18023 LipidMAPS: LMPK12140279 BioCYC: CPD-9440
Formula: C20H20O6 Exact Mass: 356.126 Source ID: CNP0254021.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
6-Prenylnaringenin Formula: C20H20O5 Exact Mass: 340.1311 Source ID: CNP0371582.1	CAS Registry: 68236-13-5 KEGG: C09832 LipidMAPS: LMPK12140277 BioCYC:
2-hydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxybenzoic acid Formula: C12H14O8 Exact Mass: 286.0689 Source ID: CNP0196675.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C8H14O2 Exact Mass: 142.0994 Source ID: CNP0273478.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2R)-6-hydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbutanoyl)-5,5-bis(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-4-one Formula: C26H38O5 Exact Mass: 430.2719 Source ID: CNP0104249.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Isohumulone A Formula: C21H30O5 Exact Mass: 362.2093 Source ID: CNP0181934.3	CAS Registry: 467-72-1 KEGG: LipidMAPS: BioCYC:
(6S)-3,5,6-trihydroxy-4-(3-methylbutanoyl)-2,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one Formula: C21H30O5 Exact Mass: 362.2093 Source ID: CNP0320282.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Humulone Formula: C21H30O5 Exact Mass: 362.2093 Source ID: CNP0262424.2	CAS Registry: 23510-81-8 KEGG: C10695 LipidMAPS: BioCYC:
Formula: C25H36O5 Exact Mass: 416.2563 Source ID: CNP0361579.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(4R,5R)-3,4,5-trihydroxy-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one Formula: C20H28O6 Exact Mass: 364.1886 Source ID: CNP0372386.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
4'-Methylacetophenone Formula: C9H10O Exact Mass: 134.0732 Source ID: CNP0415909.0	CAS Registry: 122-00-9 KEGG: LipidMAPS: BioCYC:
1,2,4-trithiane Formula: C3H6S3 Exact Mass: 137.9632 Source ID: CNP0173795.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylpropan-1-one Formula: C16H22O9 Exact Mass: 358.1264 Source ID: CNP0307828.1	CAS Registry: 17004-75-0 KEGG: LipidMAPS: BioCYC:
Formula: C22H32O5 Exact Mass: 376.225 Source ID: CNP0226813.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C21H24O7 Exact Mass: 388.1522 Source ID: CNP0351855.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Germacrene B Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0176906.0	CAS Registry: 15423-57-1 KEGG: C09672 LipidMAPS: LMPR0103090007 BioCYC:
p-Hydroxybenzoic acid-O-glucoside Formula: C13H16O8 Exact Mass: 300.0845 Source ID: CNP0167552.1	CAS Registry: 15397-25-8 KEGG: LipidMAPS: BioCYC:
Epicatechin-(4beta->6)-epicatechin-(4beta->8)-catechin Formula: C45H38O18 Exact Mass: 866.2058 Source ID: CNP0236931.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C38H36O10 Exact Mass: 652.2308 Source ID: CNP0349208.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
L-Pipecolate Formula: C6H11NO2 Exact Mass: 129.079 Source ID: CNP0148927.2	CAS Registry: 3105-95-1 KEGG: C00408 LipidMAPS: BioCYC: L-PIPECOLATE
(2S)-5-hydroxy-4-methylidene-2,3-dihydropyrrole-2-carboxylic acid Formula: C6H7NO3 Exact Mass: 141.0426 Source ID: CNP0568856.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Xanthohumol E Formula: C25H26O5 Exact Mass: 406.178 Source ID: CNP0143301.0	CAS Registry: KEGG: LipidMAPS: LMPK12120263 BioCYC:
Formula: C25H34O4 Exact Mass: 398.2457 Source ID: CNP0119032.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
2-(3,4-dihydroxyphenyl)-3-[(2S,3S,4S,5R,6S)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxychromen-4-one Formula: C33H40O20 Exact Mass: 756.2113 Source ID: CNP0318440.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(-)-Pinoresinol glucoside Formula: C26H32O11 Exact Mass: 520.1945 Source ID: CNP0229766.2	CAS Registry: 81446-29-9 KEGG: C17529 LipidMAPS: BioCYC:
Formula: C15H20O4 Exact Mass: 264.1362 Source ID: CNP0138247.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C21H30O4 Exact Mass: 346.2144 Source ID: CNP0270148.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C21H22O6 Exact Mass: 370.1416 Source ID: CNP0122093.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Methyl isobutyl ketone Formula: C6H12O Exact Mass: 100.0888 Source ID: CNP0178924.0	CAS Registry: 108-10-1 KEGG: C19263 LipidMAPS: LMFA12000033 BioCYC:
Phlorizin Formula: C21H24O10 Exact Mass: 436.1369 Source ID: CNP0290030.2	CAS Registry: 60-81-1 KEGG: C01604 LipidMAPS: LMPK12120517 BioCYC: CPD-12447
gamma-Calacorene Formula: C15H20 Exact Mass: 200.1565 Source ID: CNP0138790.1	CAS Registry: 24048-45-1 KEGG: LipidMAPS: BioCYC:
(-)-Epigallocatechin Formula: C15H14O7 Exact Mass: 306.0739 Source ID: CNP0295674.1	CAS Registry: 970-74-1 KEGG: C12136 LipidMAPS: LMPK12020004 BioCYC: CPD-10411
Arecatannin C1 Formula: C45H38O18 Exact Mass: 866.2058 Source ID: CNP0173918.4	CAS Registry: KEGG: C17897 LipidMAPS: BioCYC:
4-Deoxycohumulone Formula: C20H28O4 Exact Mass: 332.1987 Source ID: CNP0161096.0	CAS Registry: 5880-42-2 KEGG: LipidMAPS: BioCYC: CPD-7107
p-Hydroxynonanophenone Formula: C15H22O2 Exact Mass: 234.162 Source ID: CNP0227218.0	CAS Registry: 14392-69-9 KEGG: LipidMAPS: BioCYC:
Formula: C20H32 Exact Mass: 272.2504 Source ID: CNP0210393.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0190107.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
(3~{R},5~{R})-1,3,5-trihydroxy-4-[3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyloxy]cyclohexanecarboxylic acid Formula: C17H20O9 Exact Mass: 368.1107 Source ID: CNP0129307.3	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0178641.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Myrcene Formula: C10H16 Exact Mass: 136.1252 Source ID: CNP0241365.0	CAS Registry: 123-35-3 KEGG: C06074 LipidMAPS: LMPR0102010005 BioCYC: CPD-4888
1-Undecanol Formula: C11H24O Exact Mass: 172.1827 Source ID: CNP0115710.0	CAS Registry: 112-42-5 KEGG: LipidMAPS: LMFA05000144 BioCYC: CPD-17288
Formula: C26H34O11 Exact Mass: 522.2101 Source ID: CNP0373329.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Kaempferol 3-O-(6-malonyl-glucoside) Formula: C24H22O14 Exact Mass: 534.101 Source ID: CNP0264357.1	CAS Registry: 81149-02-2 KEGG: LipidMAPS: LMPK12111784 BioCYC:
Formula: C21H34O9 Exact Mass: 430.2203 Source ID: CNP0118674.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
1-[2-hydroxy-4,6-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]-2-methylpropan-1-one Formula: C22H32O14 Exact Mass: 520.1792 Source ID: CNP0123612.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C33H40O19 Exact Mass: 740.2164 Source ID: CNP0197030.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
deca-4,8-dienoic acid Formula: C10H16O2 Exact Mass: 168.115 Source ID: CNP0199986.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
Xanthohumol B Formula: C21H22O6 Exact Mass: 370.1416 Source ID: CNP0131483.1	CAS Registry: 189308-10-9 KEGG: LipidMAPS: LMPK12120299 BioCYC: CPD-7127
Methyl caprylate Formula: C9H18O2 Exact Mass: 158.1307 Source ID: CNP0109196.0	CAS Registry: 111-11-5 KEGG: LipidMAPS: LMFA07010446 BioCYC:
multifidol glucoside Formula: C17H24O9 Exact Mass: 372.142 Source ID: CNP0146328.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Hulupinic acid Formula: C15H20O4 Exact Mass: 264.1362 Source ID: CNP0231555.0	CAS Registry: 1891-42-5 KEGG: LipidMAPS: BioCYC:
1-[(2S)-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-7-yl]-3-methylbutan-1-one Formula: C21H30O5 Exact Mass: 362.2093 Source ID: CNP0145327.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
3-Methylbutanal Formula: C5H10O Exact Mass: 86.0732 Source ID: CNP0200023.0	CAS Registry: 590-86-3 KEGG: C07329 LipidMAPS: BioCYC: CPD-7031
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylpropan-1-one Formula: C16H22O9 Exact Mass: 358.1264 Source ID: CNP0192941.1	CAS Registry: 17004-75-0 KEGG: LipidMAPS: BioCYC:
Formula: C16H18O9 Exact Mass: 354.0951 Source ID: CNP0282210.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
2-Methyltricosane Formula: C24H50 Exact Mass: 338.3912 Source ID: CNP0296371.0	CAS Registry: 1928-30-9 KEGG: LipidMAPS: LMFA11000354 BioCYC:
trans-p-Coumaric acid 4-glucoside Formula: C15H18O8 Exact Mass: 326.1002 Source ID: CNP0142351.2	CAS Registry: 14364-05-7 KEGG: LipidMAPS: BioCYC: CPD-457
Formula: C15H16O8 Exact Mass: 324.0845 Source ID: CNP0242246.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
ZHCPVYWHSOILQL-YCXLUOKISA-N Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0289326.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0295775.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(4S,5S)-3,4,5-trihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one Formula: C21H30O6 Exact Mass: 378.2042 Source ID: CNP0320626.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
AKOS032962065 Formula: C16H18O9 Exact Mass: 354.0951 Source ID: CNP0148557.12	CAS Registry: KEGG: LipidMAPS: BioCYC:
3-Methyl-2-butenal Formula: C5H8O Exact Mass: 84.0575 Source ID: CNP0325416.0	CAS Registry: 107-86-8 KEGG: C07330 LipidMAPS: BioCYC: PRENAL
NCGC00178750-01 Formula: C14H22 Exact Mass: 190.1721 Source ID: CNP0216877.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(E)-1-[(4aR,8aS)-5-hydroxy-7-methoxy-2,2-dimethyl-4a,8a-dihydrochromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one Formula: C21H22O5 Exact Mass: 354.1467 Source ID: CNP0314295.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
4-Deoxyhumulone Formula: C21H30O4 Exact Mass: 346.2144 Source ID: CNP0252887.0	CAS Registry: 4374-93-0 KEGG: LipidMAPS: BioCYC: CPD-7105
(3~{R},5~{R})-1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexanecarboxylic acid Formula: C16H18O8 Exact Mass: 338.1002 Source ID: CNP0162881.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Quercetin 3-O-neohesperidoside Formula: C27H30O16 Exact Mass: 610.1534 Source ID: CNP0196290.4	CAS Registry: 117611-67-3 KEGG: LipidMAPS: BioCYC:
4-Heptenoic acid Formula: C7H12O2 Exact Mass: 128.0837 Source ID: CNP0132792.0	CAS Registry: 35194-37-7 KEGG: LipidMAPS: LMFA01030452 BioCYC:
Dodecane Formula: C12H26 Exact Mass: 170.2034 Source ID: CNP0299960.0	CAS Registry: 112-40-3 KEGG: C08374 LipidMAPS: LMFA11000004 BioCYC: CPD-9290
2',4,4'-Trihydroxy-6'-methoxy-3',5'-diprenylchalcone Formula: C26H30O5 Exact Mass: 422.2093 Source ID: CNP0112855.0	CAS Registry: 189299-04-5 KEGG: LipidMAPS: LMPK12120296 BioCYC:
Formula: C21H22O6 Exact Mass: 370.1416 Source ID: CNP0417786.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
2-[(3S)-2,3-dihydroxyindol-3-yl]acetic acid Formula: C10H9NO4 Exact Mass: 207.0532 Source ID: CNP0501674.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
beta-Humulene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0239012.0	CAS Registry: 116-04-1 KEGG: LipidMAPS: BioCYC:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one Formula: C21H20O11 Exact Mass: 448.1006 Source ID: CNP0171505.7	CAS Registry: KEGG: LipidMAPS: BioCYC:
Limonene Formula: C10H16 Exact Mass: 136.1252 Source ID: CNP0282017.2	CAS Registry: 138-86-3 KEGG: C06078 LipidMAPS: BioCYC: Limonenes
3-Methylbutan-2-one Formula: C5H10O Exact Mass: 86.0732 Source ID: CNP0209504.0	CAS Registry: 563-80-4 KEGG: LipidMAPS: LMFA12000024 BioCYC: CPD0-1307
(3~{R},5~{R})-4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,3,5-trihydroxy-cyclohexanecarboxylic acid Formula: C16H18O9 Exact Mass: 354.0951 Source ID: CNP0190199.5	CAS Registry: KEGG: LipidMAPS: BioCYC:
alpha-Corocalene Formula: C15H20 Exact Mass: 200.1565 Source ID: CNP0111758.0	CAS Registry: 20129-39-9 KEGG: LipidMAPS: BioCYC:
Formula: C21H22O6 Exact Mass: 370.1416 Source ID: CNP0248665.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Arecatannin A1 Formula: C45H38O18 Exact Mass: 866.2058 Source ID: CNP0173918.5	CAS Registry: 79813-67-5 KEGG: C17894 LipidMAPS: BioCYC:
Xanthohumol D Formula: C21H22O6 Exact Mass: 370.1416 Source ID: CNP0320819.1	CAS Registry: 274675-25-1 KEGG: LipidMAPS: LMPK12120295 BioCYC: CPD-7129
Formula: C22H24O5 Exact Mass: 368.1624 Source ID: CNP0155639.0	CAS Registry: KEGG: LipidMAPS: BioCYC:
3'-Geranyl-2',4,4',6'-tetrahydroxychalcone Formula: C25H28O5 Exact Mass: 408.1937 Source ID: CNP0113942.0	CAS Registry: 189299-03-4 KEGG: LipidMAPS: LMPK12120257 BioCYC:
4'-O-Methylxanthohumol Formula: C22H24O5 Exact Mass: 368.1624 Source ID: CNP0144652.0	CAS Registry: 123316-63-2 KEGG: C21492 LipidMAPS: LMPK12120318 BioCYC:
Haginin A Formula: C17H16O5 Exact Mass: 300.0998 Source ID: CNP0244526.0	CAS Registry: 74174-29-1 KEGG: LipidMAPS: LMPK12080067 BioCYC:
Mundulea flavanone B Formula: C21H22O5 Exact Mass: 354.1467 Source ID: CNP0400345.1	CAS Registry: KEGG: LipidMAPS: LMPK12140567 BioCYC:
Formula: C21H24O7 Exact Mass: 388.1522 Source ID: CNP0128182.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C13H14N2O2 Exact Mass: 230.1055 Source ID: CNP0173012.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C26H54 Exact Mass: 366.4225 Source ID: CNP0142731.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C22H26O7 Exact Mass: 402.1678 Source ID: CNP0239043.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C30H50O Exact Mass: 426.3861 Source ID: CNP0362107.6	CAS Registry: KEGG: LipidMAPS: BioCYC:
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid Formula: C16H18O9 Exact Mass: 354.0951 Source ID: CNP0148557.14	CAS Registry: 327-97-9 KEGG: LipidMAPS: BioCYC:
Formula: C18H24O9 Exact Mass: 384.142 Source ID: CNP0384281.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C22H26O6 Exact Mass: 386.1729 Source ID: CNP0104294.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
p-Coumaroyl quinic acid Formula: C16H18O8 Exact Mass: 338.1002 Source ID: CNP0215883.5	CAS Registry: 1899-30-5 KEGG: C12208 LipidMAPS: BioCYC:
(2R)-2-butyloctan-1-ol Formula: C12H26O Exact Mass: 186.1984 Source ID: CNP0192823.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C19H32O8 Exact Mass: 388.2097 Source ID: CNP0189162.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
Isoprenyl alcohol Formula: C5H10O Exact Mass: 86.0732 Source ID: CNP0337361.0	CAS Registry: 115-18-4 KEGG: C21402 LipidMAPS: BioCYC: CPD-13614
Prenol Formula: C5H10O Exact Mass: 86.0732 Source ID: CNP0241702.0	CAS Registry: 556-82-1 KEGG: C01390 LipidMAPS: LMFA05000106 BioCYC: PRENOL
Formula: C26H36O4 Exact Mass: 412.2613 Source ID: CNP0111062.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0125715.2	CAS Registry: KEGG: LipidMAPS: BioCYC:
2-Hexadecanone Formula: C16H32O Exact Mass: 240.2453 Source ID: CNP0199817.0	CAS Registry: 18787-63-8 KEGG: LipidMAPS: LMFA12000187 BioCYC:
Formula: C8H16O2 Exact Mass: 144.115 Source ID: CNP0161389.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Kaempferol 3-neohesperidoside Formula: C27H30O15 Exact Mass: 594.1585 Source ID: CNP0218798.4	CAS Registry: 32602-81-6 KEGG: LipidMAPS: BioCYC:
Formula: C33H40O20 Exact Mass: 756.2113 Source ID: CNP0218462.6	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C27H30O15 Exact Mass: 594.1585 Source ID: CNP0218798.5	CAS Registry: KEGG: LipidMAPS: BioCYC:
beta-Selinene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0178641.5	CAS Registry: 17066-67-0 KEGG: C09723 LipidMAPS: LMPR0103190014 BioCYC: CPD-11504
myricetin 3-O-beta-D-glucopyranoside Formula: C21H20O13 Exact Mass: 480.0904 Source ID: CNP0237115.8	CAS Registry: 19833-12-6 KEGG: LipidMAPS: BioCYC:
(4S)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-4-carboxylic acid Formula: C12H12N2O2 Exact Mass: 216.0899 Source ID: CNP0162438.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(E)-1-[(3S,4aR,8aR)-3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4,4a,8a-tetrahydrochromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one Formula: C21H24O6 Exact Mass: 372.1573 Source ID: CNP0244249.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C23H34O14 Exact Mass: 534.1948 Source ID: CNP0124685.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C24H50 Exact Mass: 338.3912 Source ID: CNP0238445.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
multifidol glucoside Formula: C17H24O9 Exact Mass: 372.142 Source ID: CNP0322129.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
NMGJCQNNUTYSJJ-CELRUTASSA-N Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0225386.2	CAS Registry: 19888-01-8 KEGG: LipidMAPS: BioCYC:
Ether Formula: C4H10O Exact Mass: 74.0732 Source ID: CNP0572765.0	CAS Registry: 60-29-7 KEGG: C13240 LipidMAPS: BioCYC: DIETHYLETHER
gamma-Selinene Formula: C15H24 Exact Mass: 204.1878 Source ID: CNP0190107.4	CAS Registry: 515-17-3 KEGG: LipidMAPS: BioCYC: CPD-20249
Formula: C17H20O9 Exact Mass: 368.1107 Source ID: CNP0368158.6	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C22H26O7 Exact Mass: 402.1678 Source ID: CNP0291234.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(2R)-6-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-bis(3-methylbut-2-enyl)-7-(2-methylpropanoyl)-2,3-dihydro-1-benzofuran-4-one Formula: C25H36O5 Exact Mass: 416.2563 Source ID: CNP0206807.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
6-Methylheptanoic acid Formula: C8H16O2 Exact Mass: 144.115 Source ID: CNP0196819.0	CAS Registry: 929-10-2 KEGG: LipidMAPS: LMFA01020242 BioCYC:
Formula: C20H20O6 Exact Mass: 356.126 Source ID: CNP0300839.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
(3~{R},5~{R})-4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,3,5-trihydroxy-cyclohexanecarboxylic acid Formula: C16H18O9 Exact Mass: 354.0951 Source ID: CNP0190199.6	CAS Registry: KEGG: LipidMAPS: BioCYC:
Isohumulone A Formula: C21H30O5 Exact Mass: 362.2093 Source ID: CNP0181934.4	CAS Registry: 467-72-1 KEGG: LipidMAPS: BioCYC:
(2S,6R)-2,5-dihydroxy-4-[(2R)-2-methylbutanoyl]-2,6-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione Formula: C21H30O5 Exact Mass: 362.2093 Source ID: CNP0315595.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Formula: C15H24O Exact Mass: 220.1827 Source ID: CNP0171203.1	CAS Registry: KEGG: LipidMAPS: BioCYC:
Isobutyl isobutyrate Formula: C8H16O2 Exact Mass: 144.115 Source ID: CNP0146650.0	CAS Registry: 97-85-8 KEGG: LipidMAPS: LMFA07010566 BioCYC: