Exact Mass: 588.3464
Exact Mass Matches: 588.3464
Found 424 metabolites which its exact mass value is equals to given mass value 588.3464
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Hydratopyrrhoxanthinol
Hydratopyrrhoxanthinol is found in blue mussel. Hydratopyrrhoxanthinol is a constituent of the edible mussel Mytilus edulis. Constituent of the edible mussel Mytilus edulis. Hydratopyrrhoxanthinol is found in blue mussel and mollusks.
25-Hydroxyvitamin D2-25-glucuronide
25-hydroxyvitamin D2-25-glucuronide is a natural human metabolite of 25-hydroxyvitamin generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. [HMDB] 25-hydroxyvitamin D2-25-glucuronide is a natural human metabolite of 25-hydroxyvitamin generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
25-Hydroxyvitamin D2 25-(beta-glucuronide)
25-Hydroxyvitamin D2 25-(beta-glucuronide) is a natural human metabolite of 25-hydroxyvitamine D2 generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. [HMDB] 25-Hydroxyvitamin D2 25-(beta-glucuronide) is a natural human metabolite of 25-hydroxyvitamine D2 generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
Cilengitide
Flupentixol decanoate
Peridininol
Window width to select the precursor ion was 3 Da.; CONE_VOLTAGE was 20 V.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
Synechoxanthin
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Ganoderic acid Mh
2,4-Bis(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine
12-O-dodecanoyl-4alpha-deoxy-16-hydroxyphorbol-13-acetate
12-O-Acetyl-phorbol-(13)-n-dodecanoat|12-O-acetylphorbol 13-dodecanoate|Phorbol-12-acetate-13-laurate
(3R,5aR,5bR,7R,9S,11aR,13R,13bS)-7-(acetyloxy)-9-hydroxy-5a,5b,11a,13b-tetramethyl-8-methylidene-3-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-13-yl benzoate|6beta-(acetyloxy)-12beta-(benzoyloxy)-21alphaH-24-norhopa-4(23),22(29)-dien-3beta-ol|cavalerol H
(22E,24R)-5alpha,8alpha-epidioxyergosta-6,9,22-triene-3beta-ol-O-beta-D-glucopyranoside
23-Aldehyde,21,22-di-Ac -(3beta,16alpha,21beta,22alpha)-12-Oleanene-3,16,21,22,23,28-hexol|23-Aldehyde,21,22-di-Ac-12-Oleanene-3,16,21,22,23,28-hexol
12??-Acetoxy-3??-hydroxy-24,25,26,27-tetranorcycloart-7-en-23,16??-olide 3-O-??-D-xylopyranoside
2,5,8-Tris(2-methylpropanoyl)-7(14)-bisabolene-1,2,3,4,5,8,10,11-octol
3,3-Dimethyl-5,5-diprenyl-6,6-dimethoxy-1,1-bi[9H-carbazole]-2,2-diol
7alpha-acetoxy-21R?,23R?-epoxy-11alpha,24S?-dihydroxy-21alpha,25-dimethoxy-4,4,8-trimethyl-cholesta-1,14-dien-3-one|brujavanone F
(3S,5R,6R,3S,4R)-3,6-epoxy-5,3,4-trihydroxy-12,13,20-trinor-beta,beta-caroten-19,11-olide|3,6-Epoxy-5,3,4-trihydroxy-12,13,20-trinor-??,??-caroten-19,11-olide
2alpha,11alpha-diacetoxy-3beta,19alpha-dihydroxyurs-12-en-28-oic acid
Asp Ile Arg Trp
Asp Ile Trp Arg
Asp Leu Arg Trp
Asp Leu Trp Arg
Asp Arg Ile Trp
Asp Arg Leu Trp
Asp Arg Trp Ile
Asp Arg Trp Leu
Asp Trp Ile Arg
Asp Trp Leu Arg
Asp Trp Arg Ile
Asp Trp Arg Leu
Glu Glu Arg Arg
Glu Arg Glu Arg
Glu Arg Arg Glu
Glu Arg Val Trp
Glu Arg Trp Val
Glu Val Arg Trp
Glu Val Trp Arg
Glu Trp Arg Val
Glu Trp Val Arg
Ile Asp Arg Trp
Ile Asp Trp Arg
Ile Arg Asp Trp
Ile Arg Trp Asp
Ile Trp Asp Arg
Ile Trp Arg Asp
Lys Lys Lys Trp
Lys Lys Gln Trp
Lys Lys Trp Lys
Lys Lys Trp Gln
Lys Gln Lys Trp
Lys Gln Gln Trp
Lys Gln Trp Lys
Lys Gln Trp Gln
Lys Trp Lys Lys
Lys Trp Lys Gln
Lys Trp Gln Lys
Lys Trp Gln Gln
Leu Asp Arg Trp
Leu Asp Trp Arg
Leu Arg Asp Trp
Leu Arg Trp Asp
Leu Trp Asp Arg
Leu Trp Arg Asp
Gln Lys Lys Trp
Gln Lys Gln Trp
Gln Lys Trp Lys
Gln Lys Trp Gln
Gln Gln Lys Trp
Gln Gln Trp Lys
Gln Trp Lys Lys
Gln Trp Lys Gln
Gln Trp Gln Lys
Arg Asp Ile Trp
Arg Asp Leu Trp
Arg Asp Trp Ile
Arg Asp Trp Leu
Arg Glu Glu Arg
Arg Glu Arg Glu
Arg Glu Val Trp
Arg Glu Trp Val
Arg Ile Asp Trp
Arg Ile Trp Asp
Arg Leu Asp Trp
Arg Leu Trp Asp
Arg Arg Glu Glu
Arg Val Glu Trp
Arg Val Trp Glu
Arg Trp Asp Ile
Arg Trp Asp Leu
Arg Trp Glu Val
Arg Trp Ile Asp
Arg Trp Leu Asp
Arg Trp Val Glu
Val Glu Arg Trp
Val Glu Trp Arg
Val Arg Glu Trp
Val Arg Trp Glu
Val Val Trp Trp
Val Trp Glu Arg
Val Trp Arg Glu
Val Trp Val Trp
Val Trp Trp Val
Trp Asp Ile Arg
Trp Asp Leu Arg
Trp Asp Arg Ile
Trp Asp Arg Leu
Trp Glu Arg Val
Trp Glu Val Arg
Trp Ile Asp Arg
Trp Ile Arg Asp
Trp Lys Lys Lys
Trp Lys Lys Gln
Trp Lys Gln Lys
Trp Lys Gln Gln
Trp Leu Asp Arg
Trp Leu Arg Asp
Trp Gln Lys Lys
Trp Gln Lys Gln
Trp Gln Gln Lys
Trp Arg Asp Ile
Trp Arg Asp Leu
Trp Arg Glu Val
Trp Arg Ile Asp
Trp Arg Leu Asp
Trp Arg Val Glu
Trp Val Glu Arg
Trp Val Arg Glu
Trp Val Val Trp
Trp Val Trp Val
Trp Trp Val Val
25-hydroxyvitamin D2 25-(β-glucuronide) / 25 hydroxyergocalciferol 25-(β-glucuronide)
25-Hydroxyvitamin D2-25-glucuronide
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
Hydratopyrrhoxanthinol
Flupentixol decanoate
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
5-[2,5-bis[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Cilengitide
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C2144 - Endothelial-Specific Integrin/Survival Signaling Inhibitor D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
N,N-(METHYLENEDICYCLOHEXYL)BIS[4-(2-PYRIDYL)-1-PIPERAZINECARBOXAMIDE]
2,3-Bis(hydroxyimino)olean-12-en-28-oic acid phenylmethyl ester
Flupentixol decanoate, (Z)-
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
egonol-9(Z),12(Z)linoleate
A fatty acid ester obtained by the formal condensation of egonol with linoleic acid. Isolated from the fruits of Styrax agrestis, it exhibits inhibitory activity against acetylcholinesterase.
(5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen-10-yn-1-ylidene]-3-[2-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]ethenyl]-2(5H)-furanone
(22E,24R)-5alpha,8alpha-epidioxyergosta-6,9,22-triene-3beta-ol-3-O-beta-D-glucopyranoside
A sterol 3-beta-D-glucoside that is ergosta-6,9,22-triene-3beta-ol with a peroxy group between positions 5 and 8 and is substituted by a beta-D-glucopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from the fruit bodies of Chlorophyllum molybdites, it exhibits cytotoxicity against Kato III cells.
N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
(1S,3Z,5R,7S)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5-(3-methylbut-2-enyl)-7-(2-methylprop-1-enyl)-1-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
(1R,5S,7S)-3-(3,4-dihydroxybenzoyl)-6,6-dimethyl-5-(3-methylbut-2-enyl)-7-(2-methylprop-1-enyl)-1-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate
[1-pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-heptadec-9-enoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-icos-11-enoate
[1-octanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-tetradec-9-enoate
[1-nonanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-tridec-9-enoate
[1-heptanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-pentadec-9-enoate
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-octadec-9-enoate
[1-propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-nonadec-9-enoate
[1-hexanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-hexadec-9-enoate
[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (15Z,18Z)-hexacosa-15,18-dienoate
(1-nonanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-nonadeca-9,12-dienoate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (11Z,14Z)-icosa-11,14-dienoate
(1-heptanoyloxy-3-phosphonooxypropan-2-yl) (11Z,14Z)-henicosa-11,14-dienoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (13Z,16Z)-docosa-13,16-dienoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (13Z,16Z)-tetracosa-13,16-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
(1-dodecanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
[1-phosphonooxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (Z)-pentadec-9-enoate
(1-phosphonooxy-3-undecanoyloxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
[3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-tetradec-9-enoate
(1-decanoyloxy-3-phosphonooxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
[3-[2,3-bis[[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxy]propoxy]-1-carboxypropyl]-trimethylazanium
[(2R)-3-phosphonooxy-2-undecanoyloxypropyl] (9E,12E)-heptadeca-9,12-dienoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (6E,9E)-octadeca-6,9-dienoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (9E,12E)-octadeca-9,12-dienoate
(1-dodecanoyloxy-3-phosphonooxypropan-2-yl) (4E,7E)-hexadeca-4,7-dienoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (9E,11E)-octadeca-9,11-dienoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (9E,11E)-octadeca-9,11-dienoate
[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] (9E,12E)-heptadeca-9,12-dienoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (2E,4E)-octadeca-2,4-dienoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (2E,4E)-octadeca-2,4-dienoate
[(2R)-3-phosphonooxy-2-[(E)-tetradec-9-enoyl]oxypropyl] (E)-tetradec-9-enoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (6E,9E)-octadeca-6,9-dienoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (9E,12E)-octadeca-9,12-dienoate
2-[[3-acetyloxy-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-butanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
[3-[3-acetyloxy-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxypropoxy]-1-carboxypropyl]-trimethylazanium
2-[[2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-hexanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(2s,3s,6r)-6-[(1r,3as,5ar,7r,9as,11r,11ar)-7-[(2-carboxyacetyl)oxy]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethyl-4-oxoheptanoic acid
(1r,3r,5r,6ar,7s,8s,10s,10ar)-1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl decanoate
[(9s,10r,11r,17s)-12-[(1e)-2-[(12s,13r,16r,17s,18r,20s,21s)-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.0⁴,¹².0⁴,²⁰.0⁵,¹⁰.0¹³,¹⁸]henicosa-5,7,9-trien-21-yl]ethenyl]-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,12-tetraen-10-yl]methanol
(1s,5s,7s)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-5-[(2s)-4-methyl-2-(prop-1-en-2-yl)pent-4-en-1-yl]-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
(1r,3s,5s,6ar,7r,8r,10r,10ar)-1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl decanoate
(2r,3r,4s,5s,6r)-2-{[(1s,2r,5r,6r,10r,13s,15s)-5-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadeca-8,18-dien-13-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-(4-carboxy-2,3-dimethylphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,3-dimethylbenzoic acid
(1s,3as,5ar,7r,8s,9ar,9br,10r,11ar)-3a,7,8,10-tetrahydroxy-1-[(2r,4r,5r)-2-[5-(hydroxymethyl)furan-2-yl]-4-methyl-5-(3-methylbutyl)-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(6e)-3,7-dimethyloctadeca-1,6-dien-3-yl]oxy}oxane-3,4,5-triol
7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-9,11-bis(3-methylbut-2-en-1-yl)-3-(2-methylprop-1-en-1-yl)-5-oxatricyclo[7.3.1.0¹,⁶]tridec-6-ene-8,13-dione
9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
7-(acetyloxy)-9-hydroxy-5a,5b,11a,13b-tetramethyl-8-methylidene-3-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-13-yl benzoate
(3r,5r,6s)-5-(acetyloxy)-2-hydroxy-6-[(1s,2r,5s,6s,14r,15r,16s)-16-hydroxy-5,10,10,15-tetramethyl-11-oxo-17-oxapentacyclo[14.2.1.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴]nonadec-8-en-2-yl]-2-methylheptan-3-yl acetate
3-{4,10-dihydroxy-2-methoxy-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-7,7-dimethyl-5-oxooxepan-2-yl acetate
4,6,12,17,17-pentamethyl-8-oxo-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docos-13-en-3-yl acetate
n-[(2z)-3-{4-[(3z)-5-{[(1r,3s,5r,7r,11r,13r)-5-methoxy-3-methyl-9-oxo-7-propyl-15-oxabicyclo[9.3.1]pentadecan-13-yl]oxy}-5-oxopent-3-en-1-yl]-1,3-oxazol-2-yl}prop-2-en-1-yl]methoxycarboximidic acid
3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-5-[4-methyl-2-(prop-1-en-2-yl)pent-4-en-1-yl]-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
(3as,7as)-n-(5-carbamimidamido-1-hydroxypentan-2-yl)-6-hydroxy-1-[(2s)-2-[(1-hydroxyhexylidene)amino]-3-(4-hydroxyphenyl)propanoyl]-octahydroindole-2-carboximidic acid
21-hexyl-9,10,17-trihydroxy-5-(hydroxymethyl)-3-methoxy-8,8,12,24-tetramethyl-13,14,22-trioxapentacyclo[14.6.2.0²,¹².0⁶,⁹.0¹⁹,²³]tetracosa-4,16,18,23-tetraen-15-one
3-(3,4-dihydroxybenzoyl)-4-hydroxy-8-methyl-1,5,7,8-tetrakis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
(2e,5s,6s)-6-[(1r,3s,3ar,4r,5ar,7s,9as,11ar)-7-(acetyloxy)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid
[(9s,10r,11r,17s)-12-[(1e)-2-[(12s,13r,16s,17s,18r,20s,21s)-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.0⁴,¹².0⁴,²⁰.0⁵,¹⁰.0¹³,¹⁸]henicosa-5,7,9-trien-21-yl]ethenyl]-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,12-tetraen-10-yl]methanol
[(1s,9s,10r,11r,17s)-12-[(1e)-2-[(4s,12s,13r,16s,17s,18s,20s,21s)-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.0⁴,¹².0⁴,²⁰.0⁵,¹⁰.0¹³,¹⁸]henicosa-5,7,9-trien-21-yl]ethenyl]-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,12-tetraen-10-yl]methanol
6-{7-[(2-carboxyacetyl)oxy]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dimethyl-4-oxoheptanoic acid
3,6-epoxy-5,3',4'-trihydroxy-12',13',20'-trinor-β,β-caroten-19,11-olide
{"Ingredient_id": "HBIN007732","Ingredient_name": "3,6-epoxy-5,3',4'-trihydroxy-12',13',20'-trinor-\u03b2,\u03b2-caroten-19,11-olide","Alias": "NA","Ingredient_formula": "C37H48O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7216","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
AIDS161963
{"Ingredient_id": "HBIN014934","Ingredient_name": "AIDS161963","Alias": "AIDS-161963; Dodecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-(acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester","Ingredient_formula": "C34H52O8","Ingredient_Smile": "CCCCCCCCCCCC(=O)OC12C(C1(C)C)C3C=C(CC4(C(C3(C(C2OC(=O)C)C)O)C=C(C4=O)C)O)CO","Ingredient_weight": "588.8 g/mol","OB_score": "25.0293747","CAS_id": "NA","SymMap_id": "SMIT04020","TCMID_id": "NA","TCMSP_id": "MOL001635","TCM_ID_id": "NA","PubChem_id": "500522","DrugBank_id": "NA"}