Exact Mass: 588.3383644
Exact Mass Matches: 588.3383644
Found 488 metabolites which its exact mass value is equals to given mass value 588.3383644
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dinoflagellate luciferin
A member of the class of bilenes that is 1,2,3,21-tetrahydro-5,7-ethanobilene-a-19(16H),5(2)-dione which is substituted at positions 2, 8, 13 and 18 by methyl groups and at positions 1, 3, 12 and 17 by carboxy, 2-carboxyethyl, ethyl and vinyl groups, respectively (the 1S,2S,3S diastereoisomer).
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
C27H40N8O7 (588.3019810000001)
Flupentixol decanoate
C33H43F3N2O2S (588.2997174000001)
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
12-O-dodecanoyl-4alpha-deoxy-16-hydroxyphorbol-13-acetate
16beta-O-acetyl-proscillaridin A|3-O-alpha-L-Rhamnopyranoside,16-Ac-3,14,16-Trohydroxybufa-4,20,22-trienolide
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-CinnMOYL,20-Ac-Pregnane-3,5,6,8,12,14,17,20-octol
elaeodendroside T
A steroid lactone isolated from Elaeodendron tangenala and exhibits antiproliferative activity against A2780 human ovarian cancer cells. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
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
31,32(?)-Didehydro-(R,R)-urobilin; Hydrochlorid|31,32(?)-didehydro-(R,R)-urobilin; hydrochloride
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
5beta-hydroxyresiniferonol-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-2E-decenoate
Asp Ile Arg Trp
C27H40N8O7 (588.3019810000001)
Asp Ile Trp Arg
C27H40N8O7 (588.3019810000001)
Asp Leu Arg Trp
C27H40N8O7 (588.3019810000001)
Asp Leu Trp Arg
C27H40N8O7 (588.3019810000001)
Asp Arg Ile Trp
C27H40N8O7 (588.3019810000001)
Asp Arg Leu Trp
C27H40N8O7 (588.3019810000001)
Asp Arg Trp Ile
C27H40N8O7 (588.3019810000001)
Asp Arg Trp Leu
C27H40N8O7 (588.3019810000001)
Asp Trp Ile Arg
C27H40N8O7 (588.3019810000001)
Asp Trp Leu Arg
C27H40N8O7 (588.3019810000001)
Asp Trp Arg Ile
C27H40N8O7 (588.3019810000001)
Asp Trp Arg Leu
C27H40N8O7 (588.3019810000001)
Glu Glu Arg Arg
C22H40N10O9 (588.2979590000001)
Glu Arg Glu Arg
C22H40N10O9 (588.2979590000001)
Glu Arg Arg Glu
C22H40N10O9 (588.2979590000001)
Glu Arg Val Trp
C27H40N8O7 (588.3019810000001)
Glu Arg Trp Val
C27H40N8O7 (588.3019810000001)
Glu Val Arg Trp
C27H40N8O7 (588.3019810000001)
Glu Val Trp Arg
C27H40N8O7 (588.3019810000001)
Glu Trp Arg Val
C27H40N8O7 (588.3019810000001)
Glu Trp Val Arg
C27H40N8O7 (588.3019810000001)
Phe Phe Ile Tyr
Phe Phe Leu Tyr
Phe Phe Tyr Ile
Phe Phe Tyr Leu
Phe Ile Phe Tyr
Phe Ile Tyr Phe
Phe Leu Phe Tyr
Phe Leu Tyr Phe
Phe Tyr Phe Ile
Phe Tyr Phe Leu
Phe Tyr Ile Phe
Phe Tyr Leu Phe
Ile Asp Arg Trp
C27H40N8O7 (588.3019810000001)
Ile Asp Trp Arg
C27H40N8O7 (588.3019810000001)
Ile Phe Phe Tyr
Ile Phe Tyr Phe
Ile Arg Asp Trp
C27H40N8O7 (588.3019810000001)
Ile Arg Trp Asp
C27H40N8O7 (588.3019810000001)
Ile Trp Asp Arg
C27H40N8O7 (588.3019810000001)
Ile Trp Arg Asp
C27H40N8O7 (588.3019810000001)
Ile Tyr Phe Phe
Lys Lys Lys Trp
C29H48N8O5 (588.3747477999999)
Lys Lys Gln Trp
Lys Lys Trp Lys
C29H48N8O5 (588.3747477999999)
Lys Lys Trp Gln
Lys Gln Lys Trp
Lys Gln Gln Trp
C27H40N8O7 (588.3019810000001)
Lys Gln Trp Lys
Lys Gln Trp Gln
C27H40N8O7 (588.3019810000001)
Lys Trp Lys Lys
C29H48N8O5 (588.3747477999999)
Lys Trp Lys Gln
Lys Trp Gln Lys
Lys Trp Gln Gln
C27H40N8O7 (588.3019810000001)
Leu Asp Arg Trp
C27H40N8O7 (588.3019810000001)
Leu Asp Trp Arg
C27H40N8O7 (588.3019810000001)
Leu Phe Phe Tyr
Leu Phe Tyr Phe
Leu Arg Asp Trp
C27H40N8O7 (588.3019810000001)
Leu Arg Trp Asp
C27H40N8O7 (588.3019810000001)
Leu Trp Asp Arg
C27H40N8O7 (588.3019810000001)
Leu Trp Arg Asp
C27H40N8O7 (588.3019810000001)
Leu Tyr Phe Phe
Gln Lys Lys Trp
Gln Lys Gln Trp
C27H40N8O7 (588.3019810000001)
Gln Lys Trp Lys
Gln Lys Trp Gln
C27H40N8O7 (588.3019810000001)
Gln Gln Lys Trp
C27H40N8O7 (588.3019810000001)
Gln Gln Trp Lys
C27H40N8O7 (588.3019810000001)
Gln Trp Lys Lys
Gln Trp Lys Gln
C27H40N8O7 (588.3019810000001)
Gln Trp Gln Lys
C27H40N8O7 (588.3019810000001)
Arg Asp Ile Trp
C27H40N8O7 (588.3019810000001)
Arg Asp Leu Trp
C27H40N8O7 (588.3019810000001)
Arg Asp Trp Ile
C27H40N8O7 (588.3019810000001)
Arg Asp Trp Leu
C27H40N8O7 (588.3019810000001)
Arg Glu Glu Arg
C22H40N10O9 (588.2979590000001)
Arg Glu Arg Glu
C22H40N10O9 (588.2979590000001)
Arg Glu Val Trp
C27H40N8O7 (588.3019810000001)
Arg Glu Trp Val
C27H40N8O7 (588.3019810000001)
Arg Ile Asp Trp
C27H40N8O7 (588.3019810000001)
Arg Ile Trp Asp
C27H40N8O7 (588.3019810000001)
Arg Leu Asp Trp
C27H40N8O7 (588.3019810000001)
Arg Leu Trp Asp
C27H40N8O7 (588.3019810000001)
Arg Arg Glu Glu
C22H40N10O9 (588.2979590000001)
Arg Val Glu Trp
C27H40N8O7 (588.3019810000001)
Arg Val Trp Glu
C27H40N8O7 (588.3019810000001)
Arg Trp Asp Ile
C27H40N8O7 (588.3019810000001)
Arg Trp Asp Leu
C27H40N8O7 (588.3019810000001)
Arg Trp Glu Val
C27H40N8O7 (588.3019810000001)
Arg Trp Ile Asp
C27H40N8O7 (588.3019810000001)
Arg Trp Leu Asp
C27H40N8O7 (588.3019810000001)
Arg Trp Val Glu
C27H40N8O7 (588.3019810000001)
Val Glu Arg Trp
C27H40N8O7 (588.3019810000001)
Val Glu Trp Arg
C27H40N8O7 (588.3019810000001)
Val Arg Glu Trp
C27H40N8O7 (588.3019810000001)
Val Arg Trp Glu
C27H40N8O7 (588.3019810000001)
Val Val Trp Trp
Val Trp Glu Arg
C27H40N8O7 (588.3019810000001)
Val Trp Arg Glu
C27H40N8O7 (588.3019810000001)
Val Trp Val Trp
Val Trp Trp Val
Trp Asp Ile Arg
C27H40N8O7 (588.3019810000001)
Trp Asp Leu Arg
C27H40N8O7 (588.3019810000001)
Trp Asp Arg Ile
C27H40N8O7 (588.3019810000001)
Trp Asp Arg Leu
C27H40N8O7 (588.3019810000001)
Trp Glu Arg Val
C27H40N8O7 (588.3019810000001)
Trp Glu Val Arg
C27H40N8O7 (588.3019810000001)
Trp Ile Asp Arg
C27H40N8O7 (588.3019810000001)
Trp Ile Arg Asp
C27H40N8O7 (588.3019810000001)
Trp Lys Lys Lys
C29H48N8O5 (588.3747477999999)
Trp Lys Lys Gln
Trp Lys Gln Lys
Trp Lys Gln Gln
C27H40N8O7 (588.3019810000001)
Trp Leu Asp Arg
C27H40N8O7 (588.3019810000001)
Trp Leu Arg Asp
C27H40N8O7 (588.3019810000001)
Trp Gln Lys Lys
Trp Gln Lys Gln
C27H40N8O7 (588.3019810000001)
Trp Gln Gln Lys
C27H40N8O7 (588.3019810000001)
Trp Arg Asp Ile
C27H40N8O7 (588.3019810000001)
Trp Arg Asp Leu
C27H40N8O7 (588.3019810000001)
Trp Arg Glu Val
C27H40N8O7 (588.3019810000001)
Trp Arg Ile Asp
C27H40N8O7 (588.3019810000001)
Trp Arg Leu Asp
C27H40N8O7 (588.3019810000001)
Trp Arg Val Glu
C27H40N8O7 (588.3019810000001)
Trp Val Glu Arg
C27H40N8O7 (588.3019810000001)
Trp Val Arg Glu
C27H40N8O7 (588.3019810000001)
Trp Val Val Trp
Trp Val Trp Val
Trp Trp Val Val
Tyr Phe Phe Ile
Tyr Phe Phe Leu
Tyr Phe Ile Phe
Tyr Phe Leu Phe
Tyr Ile Phe Phe
Tyr Leu Phe Phe
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
C33H43F3N2O2S (588.2997174000001)
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
C27H40N8O7 (588.3019810000001)
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C2144 - Endothelial-Specific Integrin/Survival Signaling Inhibitor D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
Flupentixol decanoate, (Z)-
C33H43F3N2O2S (588.2997174000001)
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
3-[2-[[3-(2-carboxylatoethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
(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
C35H48N4O4 (588.3675367999999)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
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
C35H48N4O4 (588.3675367999999)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
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
C35H48N4O4 (588.3675367999999)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
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
C35H48N4O4 (588.3675367999999)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
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
C35H48N4O4 (588.3675367999999)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
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
C35H48N4O4 (588.3675367999999)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
(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
[(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
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"}
(1s,3r,4r,5r,6r,10s,12s,16r,18s,21r)-4,6,12,17,17-pentamethyl-8-oxo-18-{[(2s,3r,4s,5r)-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
6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-(non-1-en-1-yl)-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl acetate
(3r,6r)-6-[(1r,3as,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
7,7'-dimethoxy-3,3'-dimethyl-8,8'-bis(3-methylbut-2-en-1-yl)-9h,9'h-[2,2'-bicarbazole]-1,1'-diol
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
(1s,4s,5s,6r,9s,10r,12s,14r)-4-{[(2r)-2,3-dimethylbutanoyl]oxy}-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-12-yl octanoate
(3r,6s,12r,15s,18s)-3,12-dibenzyl-5,14-dihydroxy-15-isopropyl-16-oxa-1,4,10,13-tetraazatricyclo[16.3.0.0⁶,¹⁰]henicosa-4,13-diene-2,11,17-trione
5-(acetyloxy)-2-hydroxy-6-{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-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl octadeca-9,12-dienoate
(3s,5s)-2-[(1s,2s,3s,4r,5s,6s)-3-(acetyloxy)-4,6-dihydroxy-4-methyl-2,5-bis[(2-methylpropanoyl)oxy]cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl 2-methylpropanoate
(5z)-5-[(2e,4e,6e)-11-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-2,9-dimethylundeca-2,4,6,8,10-pentaen-1-ylidene]-3-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)furan-2-one
3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-5-[4-methyl-2-(prop-1-en-2-yl)pent-3-en-1-yl]-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
(2s)-2-amino-n-[(2s)-1-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}-3-(1h-indol-3-yl)propanoyl]oxy}-3-(1h-indol-3-yl)-1-oxopropan-2-yl]-3-methylbutanimidic acid
(1s,2s,6r,10s,11r,13s,14r,15r)-14-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl dodecanoate
[12-(2-{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
3a-hydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1h,2h,3h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate
(1s,3r,5r,6ar,7s,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
(1r,3r,3ar,3br,4s,5ar,7s,9as,9br,11as)-4,7-bis(acetyloxy)-1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2s)-2-methyl-5-oxofuran-2-yl]-dodecahydrocyclopenta[a]phenanthren-3-yl acetate
(5z)-5-[(2e,4e,6e)-11-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-2,9-dimethylundeca-2,4,6,8,10-pentaen-1-ylidene]-3-(2-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}ethenyl)furan-2-one
(2s)-n-(5-{[3-({4-[(3-aminopropyl)amino]butyl}amino)-1-hydroxypropylidene]amino}pentyl)-2-{[1-hydroxy-2-(4-hydroxy-1h-indol-3-yl)ethylidene]amino}butanediimidic acid
C29H48N8O5 (588.3747477999999)