Exact Mass: 356.2270882
Exact Mass Matches: 356.2270882
Found 176 metabolites which its exact mass value is equals to given mass value 356.2270882,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Pelanin
(1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-yl pentanoate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen Isolated from potato. Pelanin is found in potato. Same as: D01413
16-Dehydropregenolone Acetate
3beta-Acetyloxy-pregna-5,16-dien-20-one
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5,7-Megastigmadien-9-ol glucoside
2-(hydroxymethyl)-6-{[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl]oxy}oxane-3,4,5-triol
5,7-Megastigmadien-9-ol glucoside is found in fruits. 5,7-Megastigmadien-9-ol glucoside is a constituent of Passiflora edulis (passion fruit). Constituent of Passiflora edulis (passion fruit). 5,7-Megastigmadien-9-ol glucoside is found in fruits.
1-Formylneogrifolin
4,5-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde
1-Formylneogrifolin is found in mushrooms. 1-Formylneogrifolin is a constituent of Albatrellus ovinus. Constituent of Albatrellus ovinus. 1-Formylneogrifolin is found in mushrooms.
Estradiol 3-Valerate
(17-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) pentanoate
Estradiol valerate
5-Hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-yl pentanoic acid
3-(Hydroperoxymethyl)-6-(1-hydroxy-1-methylundecyl)-4-methoxy-2H-pyran-2-one
3-(Hydroperoxymethyl)-6-(1-hydroxy-1-methylundecyl)-4-methoxy-2H-pyran-2-one
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(cyclohexylmethyl)-2h-indazole-3-carboxamide
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(cyclohexylmethyl)-2h-indazole-3-carboxamide
2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
16beta-hydroxy-5alpha-pregna-1,20-dien-3-one 16-acetate
16beta-hydroxy-5alpha-pregna-1,20-dien-3-one 16-acetate
14-dehydrouzarigenin|3beta-hydroxy-5alpha-carda-14(15),20(22)-dienolide|3beta-Hydroxy-5alpha-carda-14,20(22)-dienolid|3beta-hydroxy-5alpha-carda-14,20(22)-dienolide|beta-anhydroepidigitoxigenin
14-dehydrouzarigenin|3beta-hydroxy-5alpha-carda-14(15),20(22)-dienolide|3beta-Hydroxy-5alpha-carda-14,20(22)-dienolid|3beta-hydroxy-5alpha-carda-14,20(22)-dienolide|beta-anhydroepidigitoxigenin
1-Formylneogrifolin
4,5-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde
3-(hydroperoxymethyl)-6-(2-hydroxydodecan-2-yl)-4-methoxy-2H-pyran-2-one|peroxymonascuspyrone
3-(hydroperoxymethyl)-6-(2-hydroxydodecan-2-yl)-4-methoxy-2H-pyran-2-one|peroxymonascuspyrone
rel-(1R,2R)-2-(1-farnesyl-2-hydroxy-5-oxocyclohex-3-en-1-yl)-acetic acid lactone
rel-(1R,2R)-2-(1-farnesyl-2-hydroxy-5-oxocyclohex-3-en-1-yl)-acetic acid lactone
(6E)-1-(2,4-dihydroxyphenyl)-3,7,11-trimethyl-3-vinyl-6,10-dodecadien-1-one|1-(2,4-dihydroxyphenyl)-3,7,11-trimethyl-3-vinyl-6(E),10-dodecadiene-1-one
(6E)-1-(2,4-dihydroxyphenyl)-3,7,11-trimethyl-3-vinyl-6,10-dodecadien-1-one|1-(2,4-dihydroxyphenyl)-3,7,11-trimethyl-3-vinyl-6(E),10-dodecadiene-1-one
(6R,9R)-3-oxo-alpha-ionol-9-O-beta-D-glucopyranoside|4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
(6R,9R)-3-oxo-alpha-ionol-9-O-beta-D-glucopyranoside|4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
(4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one|ferulaeone C
(4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one|ferulaeone C
(-)-octalactin A|4(R),5(S),8(S)-4-hydroxy-8-{2-[3-((S)-2-hydroxy-3-methyl-butyl)-2(S),3(R)-2-methyl-oxiranyl]-1(S)-methyl-2-oxo-ethyl}-5-methyl-oxocan-2-one|Octalactin A
(-)-octalactin A|4(R),5(S),8(S)-4-hydroxy-8-{2-[3-((S)-2-hydroxy-3-methyl-butyl)-2(S),3(R)-2-methyl-oxiranyl]-1(S)-methyl-2-oxo-ethyl}-5-methyl-oxocan-2-one|Octalactin A
(4E,8E,12Z)-13-hydroxymethylene-1-(2-hydroxyphenyl)-5,9-dimethyl-4,8,12-tetradecatrien-1-one|(4E,8E,12Z)-form-13-(Hydroxymethyl)-1-(2-hydroxyphenyl)-5,9-dimethyl-4,8,12-tetradecatrien-1-one
(4E,8E,12Z)-13-hydroxymethylene-1-(2-hydroxyphenyl)-5,9-dimethyl-4,8,12-tetradecatrien-1-one|(4E,8E,12Z)-form-13-(Hydroxymethyl)-1-(2-hydroxyphenyl)-5,9-dimethyl-4,8,12-tetradecatrien-1-one
rel-(1R,5R)-2-(1-farnesyl-5-hydroxy-2-oxocyclohex-3-en-1-yl)-acetic acid delta-lactone
rel-(1R,5R)-2-(1-farnesyl-5-hydroxy-2-oxocyclohex-3-en-1-yl)-acetic acid delta-lactone
16-beta-acetyloxy-pregn-4,17(20)-trans-dien-3-one|16beta-acetyloxy-pregn-4,17(20)-(trans)-dien-3-one
16-beta-acetyloxy-pregn-4,17(20)-trans-dien-3-one|16beta-acetyloxy-pregn-4,17(20)-(trans)-dien-3-one
(2-{4,5-Dimethoxy-2-[2-(4-methoxy-phenyl)-vinyl]-phenyl}-ethyl)-trimethyl-ammonium
"NCGC00160197-01!(2-{4,5-Dimethoxy-2-[2-(4-methoxy-phenyl)-vinyl]-phenyl}-ethyl)-trimethyl-ammonium"
[C22H30NO3]+ (356.22255700000005)
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid
NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid
2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
NCGC00347603-02!2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847299]
NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847299]
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847297]
NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847297]
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based: Match]
NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based: Match]
methyl 9-hydroperoxy-10,12-epidioxy-13,15-octadecadienoate
methyl 9-hydroperoxy-10,12-epidioxy-13,15-octadecadienoate
methyl 13,15-epidioxy-16-hydroperoxy-9,11-octadecadienoate
methyl 13,15-epidioxy-16-hydroperoxy-9,11-octadecadienoate
methyl 10,12-epidioxy-13-hydroperoxy-8E,15Z-octadecadienoate
methyl 10,12-epidioxy-13-hydroperoxy-8E,15Z-octadecadienoate
methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate
methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate
methyl 9,12-dihydroperoxy-10E,13E,15Z-octadecatrienoate
methyl 9,12-dihydroperoxy-10E,13E,15Z-octadecatrienoate
methyl 9,16-dihydroperoxy-10E,12,14E-octadecatrienoate
methyl 9,16-dihydroperoxy-10E,12,14E-octadecatrienoate
methyl 13,16-dihydroperoxy-9Z,11E,14E-octadecatrienoate
methyl 13,16-dihydroperoxy-9Z,11E,14E-octadecatrienoate
methyl 10,12-dihydroperoxy-8E,13E,15Z-octadecatrienoate
methyl 10,12-dihydroperoxy-8E,13E,15Z-octadecatrienoate
methyl 13,15-dihydroperoxy-9Z,11E,16E-octadecatrienoate
methyl 13,15-dihydroperoxy-9Z,11E,16E-octadecatrienoate
methyl 10,16-dihydroperoxy-8E,12Z,14E-octadecatrienoate
methyl 10,16-dihydroperoxy-8E,12Z,14E-octadecatrienoate
methyl 9,15-dihydroperoxy-10E,12Z,16E-octadecatrienoate
methyl 9,15-dihydroperoxy-10E,12Z,16E-octadecatrienoate
methyl 11-(3,5-epidioxy-2-ethyl-cyclopentyl)-9-hydroperoxy-10-undecenoate
methyl 11-(3,5-epidioxy-2-ethyl-cyclopentyl)-9-hydroperoxy-10-undecenoate
methyl 9-hydroperoxy-10,13-epdioxy-11,15-octadecadienoate
methyl 9-hydroperoxy-10,13-epdioxy-11,15-octadecadienoate
methyl 12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoate
methyl 12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoate
5,7-Megastigmadien-9-ol glucoside
2-(hydroxymethyl)-6-{[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl]oxy}oxane-3,4,5-triol
ethyl prop-2-enoate,8-methyl-2-methylidenenonanoic acid,prop-2-enoic acid
ethyl prop-2-enoate,8-methyl-2-methylidenenonanoic acid,prop-2-enoic acid
butyl 2-methylprop-2-enoate,butyl prop-2-enoate,2-methylprop-2-enoic acid
butyl 2-methylprop-2-enoate,butyl prop-2-enoate,2-methylprop-2-enoic acid
quinestradol
quinestradol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
ethenyl acetate,6-methylheptyl prop-2-enoate,2-methylprop-2-enoic acid
ethenyl acetate,6-methylheptyl prop-2-enoate,2-methylprop-2-enoic acid
cis-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)stilbene
cis-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)stilbene
C20H30B2O4 (356.23300800000004)
Pregna-9(11),16-dien-20-one,3-(acetyloxy)-, (3b,5a)-
Pregna-9(11),16-dien-20-one,3-(acetyloxy)-, (3b,5a)-
Rolofylline
Rolofylline
D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics Rolofylline (KW-3902) is a potent, selective adenosine A1 receptor antagonist that is under development for the treatment of patients with acute congestive heart failure and renal impairment. Rolofylline is metabolized primarily to the pharmacologically active M1-trans and M1-cis metabolites by cytochrome P450 (CYP450)[1]. Rolofylline is alleviating the presynaptic dysfunction and restores neuronal activity as well as dendritic spine levels in vitro, is an interesting candidate to combat the hypometabolism and neuronal dysfunction associated with Tau-induced neurodegenerative diseases[2].
Ilicicolin B
Ilicicolin B
An ilicicolin that is 2,4-dihydroxy-6-methyl-benzaldehyde which is substituted at position 3 by a (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl group.
19-(2-Furyl)nonadeca-5,7-diynoic acid
19-(2-Furyl)nonadeca-5,7-diynoic acid
An acetylenic fatty acid that is nonadeca-5,7-diynoic acid substituted by a furan-2-yl group at position 19. Isolated from Polyalthia evecta, it exhibits anti-HSV-1 and antiplasmodial activity.
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
C22H32O2Si (356.21714519999995)
1H-Purine-2,6-dione, 8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-
1H-Purine-2,6-dione, 8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Estradiol valerate
Estradiol valerate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
[(1S,2R,3R,4S,5S,6S)-4-azaniumyl-3-[(2R,3R,4R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxyoxan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]-methylazanium
[(1S,2R,3R,4S,5S,6S)-4-azaniumyl-3-[(2R,3R,4R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxyoxan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]-methylazanium
(6E,9E,12E,15E)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one
(6E,9E,12E,15E)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one
D004791 - Enzyme Inhibitors
rel-(R)-1-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl acetate
rel-(R)-1-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl acetate
A natural product found in Carijoa multiflora.
pentanoic acid [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
pentanoic acid [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid
(5S,8S)-5-(2-methylpropyl)-8-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(5S,8S)-5-(2-methylpropyl)-8-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(4S,7S)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4S,7S)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4S,7R)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4S,7R)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4R,7R)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4R,7R)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4R,7S)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4R,7S)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5S,8R)-5-(2-methylpropyl)-8-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(5S,8R)-5-(2-methylpropyl)-8-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
[(8R,9S,13S,14R,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
[(8R,9S,13S,14R,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
2-[4,5-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethyl-trimethylazanium
2-[4,5-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethyl-trimethylazanium
C22H30NO3+ (356.22255700000005)
2-[(3-Heptoxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(3-Heptoxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C15H35NO6P+ (356.22018800000006)
ST 23:4;O3
17-pentanoyl-estra-1,3,5(10)-triene-3,17beta-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen Same as: D01413
(2e,4s)-4-[(2s,3s,4r,5s,6s,8r,9s,10r)-9-ethyl-4,10-dihydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]pent-2-enoic acid
(2e,4s)-4-[(2s,3s,4r,5s,6s,8r,9s,10r)-9-ethyl-4,10-dihydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]pent-2-enoic acid
2,4-dihydroxy-6-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)benzaldehyde
2,4-dihydroxy-6-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)benzaldehyde
methyl 3-{[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl]methyl}-4-hydroxybenzoate
methyl 3-{[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl]methyl}-4-hydroxybenzoate
methyl 3-{[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl}-4-hydroxybenzoate
methyl 3-{[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl}-4-hydroxybenzoate
(4r,5s,8s)-4-hydroxy-8-[(2s)-1-[(2s,3r)-3-[(2s)-2-hydroxy-3-methylbutyl]-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-methyloxocan-2-one
(4r,5s,8s)-4-hydroxy-8-[(2s)-1-[(2s,3r)-3-[(2s)-2-hydroxy-3-methylbutyl]-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-5-methyloxocan-2-one
3-(hydroperoxymethyl)-6-[(2s)-2-hydroxydodecan-2-yl]-4-methoxypyran-2-one
3-(hydroperoxymethyl)-6-[(2s)-2-hydroxydodecan-2-yl]-4-methoxypyran-2-one
(2s)-3-(acetyloxy)-2-{[(2z)-2-methylbut-2-enoyl]oxy}propyl nonanoate
(2s)-3-(acetyloxy)-2-{[(2z)-2-methylbut-2-enoyl]oxy}propyl nonanoate
6-[5-(but-2-en-2-yl)-4,11-dimethyl-3,10-dioxatetracyclo[5.5.0.0²,⁴.0⁹,¹¹]dodecan-6-yl]-3-methylhexa-3,5-dien-2-one
6-[5-(but-2-en-2-yl)-4,11-dimethyl-3,10-dioxatetracyclo[5.5.0.0²,⁴.0⁹,¹¹]dodecan-6-yl]-3-methylhexa-3,5-dien-2-one
(1r,3r,4z,8e,11r)-4,7,7,11,17-pentamethyl-12-oxatricyclo[9.8.0.0¹³,¹⁸]nonadeca-4,8,13,15,17-pentaene-3,15-diol
(1r,3r,4z,8e,11r)-4,7,7,11,17-pentamethyl-12-oxatricyclo[9.8.0.0¹³,¹⁸]nonadeca-4,8,13,15,17-pentaene-3,15-diol
16-hydroxypregna-4,17(20)-dien-3-one; (16β,17(20)z)-form,ac
NA
{"Ingredient_id": "HBIN001920","Ingredient_name": "16-hydroxypregna-4,17(20)-dien-3-one; (16\u03b2,17(20)z)-form,ac","Alias": "NA","Ingredient_formula": "C23H32O3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9268","PubChem_id": "NA","DrugBank_id": "NA"}
1-formylneogrifolin
NA
{"Ingredient_id": "HBIN002546","Ingredient_name": "1-formylneogrifolin","Alias": "NA","Ingredient_formula": "C23H32O3","Ingredient_Smile": "CC1=C(C(=CC(=C1CC=C(C)CCC=C(C)CCC=C(C)C)O)O)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7909","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)benzaldehyde
4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)benzaldehyde
11-hydroxy-9a,11a-dimethyl-1-(3-oxobutan-2-yl)-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
11-hydroxy-9a,11a-dimethyl-1-(3-oxobutan-2-yl)-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
4,6-dihydroxy-2-methyl-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde
4,6-dihydroxy-2-methyl-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde
14-hydroxy-1-(2-hydroxyphenyl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
14-hydroxy-1-(2-hydroxyphenyl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
(1s,5s)-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-oxabicyclo[3.3.1]non-7-ene-3,6-dione
(1s,5s)-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-oxabicyclo[3.3.1]non-7-ene-3,6-dione
(1r,3as,3bs,9ar,9bs,10r,11ar)-1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl acetate
(1r,3as,3bs,9ar,9bs,10r,11ar)-1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl acetate
4-{9-ethyl-4,10-dihydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undecan-2-yl}pent-2-enoic acid
4-{9-ethyl-4,10-dihydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undecan-2-yl}pent-2-enoic acid
7-(hept-1-en-1-yl)-8-(hydroxymethyl)-2,2-dimethyl-4,5,6,8a-tetrahydro-3h-1-benzopyran-3,4a,5,6-tetrol
7-(hept-1-en-1-yl)-8-(hydroxymethyl)-2,2-dimethyl-4,5,6,8a-tetrahydro-3h-1-benzopyran-3,4a,5,6-tetrol
methyl 3-{[(1s,4as,8as)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl}-4-hydroxybenzoate
methyl 3-{[(1s,4as,8as)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl}-4-hydroxybenzoate
(8-hydroxy-8-isopropyl-5-methyl-4,4a,5,6,7,8a-hexahydro-3h-naphthalen-2-yl)methyl 2-phenylacetate
(8-hydroxy-8-isopropyl-5-methyl-4,4a,5,6,7,8a-hexahydro-3h-naphthalen-2-yl)methyl 2-phenylacetate
[(4as,5r,8s,8ar)-8-hydroxy-8-isopropyl-5-methyl-4,4a,5,6,7,8a-hexahydro-3h-naphthalen-2-yl]methyl 2-phenylacetate
[(4as,5r,8s,8ar)-8-hydroxy-8-isopropyl-5-methyl-4,4a,5,6,7,8a-hexahydro-3h-naphthalen-2-yl]methyl 2-phenylacetate
4,7,7,11,17-pentamethyl-12-oxatricyclo[9.8.0.0¹³,¹⁸]nonadeca-4,8,13,15,17-pentaene-3,15-diol
4,7,7,11,17-pentamethyl-12-oxatricyclo[9.8.0.0¹³,¹⁸]nonadeca-4,8,13,15,17-pentaene-3,15-diol
methyl 3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxy-5-(3-methylbut-2-en-1-yl)benzoate
methyl 3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxy-5-(3-methylbut-2-en-1-yl)benzoate
6-[(3e,5e,11e,13e)-heptadeca-3,5,11,13-tetraen-1-yl]-4-methoxypyran-2-one
6-[(3e,5e,11e,13e)-heptadeca-3,5,11,13-tetraen-1-yl]-4-methoxypyran-2-one
2-(4,8-dimethylnona-3,7-dien-1-yl)-7-methoxy-2,5-dimethylchromen-6-ol
2-(4,8-dimethylnona-3,7-dien-1-yl)-7-methoxy-2,5-dimethylchromen-6-ol
(4e,8e,12z)-14-hydroxy-1-(2-hydroxyphenyl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
(4e,8e,12z)-14-hydroxy-1-(2-hydroxyphenyl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
methyl 3-[(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-4-hydroxybenzoate
methyl 3-[(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-4-hydroxybenzoate
4-{7-hydroxy-9a,11a-dimethyl-1h,2h,3bh,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-5h-furan-2-one
4-{7-hydroxy-9a,11a-dimethyl-1h,2h,3bh,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-5h-furan-2-one
(1r,2s,9ar,11as)-1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(1r,2s,9ar,11as)-1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(1r,4s,5s,7s,8s,9r,11s,12s)-12-hydroxy-5,7-dimethoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate
(1r,4s,5s,7s,8s,9r,11s,12s)-12-hydroxy-5,7-dimethoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate
(6s,8as,12as,12br)-6,9,9,12b-tetramethyl-5,6,7,8,8a,10,11,12-octahydro-oxatetraphen-3-yl acetate
(6s,8as,12as,12br)-6,9,9,12b-tetramethyl-5,6,7,8,8a,10,11,12-octahydro-oxatetraphen-3-yl acetate
1-ethylidene-9a,11a-dimethyl-7-oxo-2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
1-ethylidene-9a,11a-dimethyl-7-oxo-2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(3s,4as,5r,6r)-7-[(1e)-hept-1-en-1-yl]-8-(hydroxymethyl)-2,2-dimethyl-4,5,6,8a-tetrahydro-3h-1-benzopyran-3,4a,5,6-tetrol
(3s,4as,5r,6r)-7-[(1e)-hept-1-en-1-yl]-8-(hydroxymethyl)-2,2-dimethyl-4,5,6,8a-tetrahydro-3h-1-benzopyran-3,4a,5,6-tetrol
(1r,3as,3bs,4s,5as,9ar,9bs,11ar)-1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(1r,3as,3bs,4s,5as,9ar,9bs,11ar)-1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
5-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-2-oxabicyclo[3.3.1]non-7-ene-3,6-dione
5-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-2-oxabicyclo[3.3.1]non-7-ene-3,6-dione
(3ar,7ar)-3a-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-4,7a-dihydro-3h-1-benzofuran-2,5-dione
(3ar,7ar)-3a-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-4,7a-dihydro-3h-1-benzofuran-2,5-dione
3-{[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl}-4-hydroxyphenyl acetate
3-{[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl}-4-hydroxyphenyl acetate
3-(hydroperoxymethyl)-6-(2-hydroxydodecan-2-yl)-4-methoxypyran-2-one
3-(hydroperoxymethyl)-6-(2-hydroxydodecan-2-yl)-4-methoxypyran-2-one
(1r,3as,3br,9ar,9bs,11s,11as)-11-hydroxy-9a,11a-dimethyl-1-[(2s)-3-oxobutan-2-yl]-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,3as,3br,9ar,9bs,11s,11as)-11-hydroxy-9a,11a-dimethyl-1-[(2s)-3-oxobutan-2-yl]-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
6-(heptadeca-5,7,11,13-tetraen-1-yl)-4-methoxypyran-2-one
6-(heptadeca-5,7,11,13-tetraen-1-yl)-4-methoxypyran-2-one
4-[(1s,3br,5as,7s,9as,9bs,11ar)-7-hydroxy-9a,11a-dimethyl-1h,2h,3bh,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
4-[(1s,3br,5as,7s,9as,9bs,11ar)-7-hydroxy-9a,11a-dimethyl-1h,2h,3bh,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
(2r,9s)-14-formyl-5-isopropyl-2,10-dimethyltricyclo[9.4.0.0²,⁶]pentadeca-4,10,14-trien-9-yl acetate
(2r,9s)-14-formyl-5-isopropyl-2,10-dimethyltricyclo[9.4.0.0²,⁶]pentadeca-4,10,14-trien-9-yl acetate
6-[(5e,7e,11e,13e)-heptadeca-5,7,11,13-tetraen-1-yl]-4-methoxypyran-2-one
6-[(5e,7e,11e,13e)-heptadeca-5,7,11,13-tetraen-1-yl]-4-methoxypyran-2-one
(3r)-3-[(1r,3as,3bs,9ar,9bs,11ar)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]butanoic acid
(3r)-3-[(1r,3as,3bs,9ar,9bs,11ar)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]butanoic acid
(1r,2s,3as,3bs,5as,9ar,9bs,11as)-1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(1r,2s,3as,3bs,5as,9ar,9bs,11as)-1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(3e,5e)-6-[(1r,2s,4r,5r,6s,7s,9s,11r)-5-[(2e)-but-2-en-2-yl]-4,11-dimethyl-3,10-dioxatetracyclo[5.5.0.0²,⁴.0⁹,¹¹]dodecan-6-yl]-3-methylhexa-3,5-dien-2-one
(3e,5e)-6-[(1r,2s,4r,5r,6s,7s,9s,11r)-5-[(2e)-but-2-en-2-yl]-4,11-dimethyl-3,10-dioxatetracyclo[5.5.0.0²,⁴.0⁹,¹¹]dodecan-6-yl]-3-methylhexa-3,5-dien-2-one
6-(heptadeca-3,5,11,13-tetraen-1-yl)-4-methoxypyran-2-one
6-(heptadeca-3,5,11,13-tetraen-1-yl)-4-methoxypyran-2-one
6,9,9,12b-tetramethyl-5,6,7,8,8a,10,11,12-octahydro-oxatetraphen-3-yl acetate
6,9,9,12b-tetramethyl-5,6,7,8,8a,10,11,12-octahydro-oxatetraphen-3-yl acetate
methyl 3-{[(1r,2s,4ar,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl}-4-hydroxybenzoate
methyl 3-{[(1r,2s,4ar,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl}-4-hydroxybenzoate
(4e,8e)-1-(2,4-dihydroxyphenyl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
(4e,8e)-1-(2,4-dihydroxyphenyl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl acetate
1-ethenyl-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl acetate
(2s)-2-(4,8-dimethylnona-3,7-dien-1-yl)-7-methoxy-2,5-dimethylchromen-6-ol
(2s)-2-(4,8-dimethylnona-3,7-dien-1-yl)-7-methoxy-2,5-dimethylchromen-6-ol
12-hydroxy-5,7-dimethoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate
12-hydroxy-5,7-dimethoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate
5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-oxabicyclo[3.3.1]non-7-ene-3,6-dione
5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-oxabicyclo[3.3.1]non-7-ene-3,6-dione
(2r,9s,10z)-14-formyl-5-isopropyl-2,10-dimethyltricyclo[9.4.0.0²,⁶]pentadeca-4,10,14-trien-9-yl acetate
(2r,9s,10z)-14-formyl-5-isopropyl-2,10-dimethyltricyclo[9.4.0.0²,⁶]pentadeca-4,10,14-trien-9-yl acetate
3-{9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}butanoic acid
3-{9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}butanoic acid
2-(4,8-dimethylnona-3,7-dien-1-yl)-5-methoxy-2,7-dimethylchromen-8-ol
2-(4,8-dimethylnona-3,7-dien-1-yl)-5-methoxy-2,7-dimethylchromen-8-ol
(1r)-1-[(1s,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl acetate
(1r)-1-[(1s,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl acetate
1,3-dimethyl-4-[(1e,3e,5e,7e)-8-{[(3s)-5-methyl-2-oxohexan-3-yl]-c-hydroxycarbonimidoyl}octa-1,3,5,7-tetraen-1-yl]imidazol-1-ium
1,3-dimethyl-4-[(1e,3e,5e,7e)-8-{[(3s)-5-methyl-2-oxohexan-3-yl]-c-hydroxycarbonimidoyl}octa-1,3,5,7-tetraen-1-yl]imidazol-1-ium
3-(acetyloxy)-2-[(2-methylbut-2-enoyl)oxy]propyl nonanoate
3-(acetyloxy)-2-[(2-methylbut-2-enoyl)oxy]propyl nonanoate
methyl 3-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-5-(3-methylbut-2-en-1-yl)benzoate
methyl 3-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-5-(3-methylbut-2-en-1-yl)benzoate
(2r)-2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-5-methoxy-2,7-dimethylchromen-8-ol
(2r)-2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-5-methoxy-2,7-dimethylchromen-8-ol
3a-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-4,7a-dihydro-3h-1-benzofuran-2,5-dione
3a-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-4,7a-dihydro-3h-1-benzofuran-2,5-dione
(1z,2s,3as,3br,9ar,9bs,11as)-1-ethylidene-9a,11a-dimethyl-7-oxo-2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(1z,2s,3as,3br,9ar,9bs,11as)-1-ethylidene-9a,11a-dimethyl-7-oxo-2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate