Exact Mass: 356.2046
Exact Mass Matches: 356.2046
Found 500 metabolites which its exact mass value is equals to given mass value 356.2046
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Xanthoplanine
Xanthoplanine is found in fruits. Quaternary alkaloid from Litsea cubeba (mountain pepper). Quaternary alkaloid from Litsea cubeba (mountain pepper). Xanthoplanine is found in fruits.
Piperochromanoic acid
Piperochromanoic acid is found in herbs and spices. Piperochromanoic acid is a constituent of the leaves of Piper auritum (Veracruz pepper). Constituent of the leaves of Piper auritum (Veracruz pepper). Piperochromanoic acid is found in herbs and spices.
5,7-Megastigmadien-9-ol glucoside
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.
gamma-Crocetin
gamma-Crocetin is found in herbs and spices. gamma-Crocetin is isolated from saffro Isolated from saffron. gamma-Crocetin is found in saffron and herbs and spices. Crocetine dimethyl ester (Dimethylcrocetin) is found in the stigmas of saffron (Crocus sativus L.), and has antioxidant activity[1].
Pibutidine
Pibutidine belongs to the family of Alkyl Aryl Ethers. These are organic compounds containing the alkyl aryl ether functional group with formula R-O-R , where R is an alkyl group and R is an aryl group. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
3-Methylthiofentanyl
3-Methylthiofentanyl belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
(+)-2-(Benzothiophen-4-yl)-N-methyl-N-((1R,2R)-2-pyrrolidin-1-ylcyclohexyl)acetamide
Fluanisone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
vamorolone
6-[Ethyl-(3-isobutoxy-4-isopropylphenyl)amino]nicotinic acid
1-Methyl-2-acetyl-6-hexanoyl-7-methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole
3-(Hydroperoxymethyl)-6-(1-hydroxy-1-methylundecyl)-4-methoxy-2H-pyran-2-one
Diethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate
Niaprazine
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic Niaprazine is a histamine H1-receptor antagonist. Niaprazine has antihistamine and antiserotonin activities and can be used for sleep disorder research[1][2].
Fluanisone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(cyclohexylmethyl)-2h-indazole-3-carboxamide
N-(Naphthalen-1-yl)-1-pentyl-1H-indole-3-carboxamide
1-acetyl-aspidospermidine-16,17-diol|N-Acetyl-16,17-dihydroxy-aspidospermin|O-Demethylaspidocarpine
agallochin B|ent-15-chloro-13,14-dihydroxylabd-8(9)-en-3-one
(-)-trans-verbenol beta-D-glucopyranoside 6-acetate
Leu-Gln-Pro
A tripeptide consisting of L-leucyl, L-glutaminyl and L-proline residues joined in sequence.
1-Acetyl-aspidospermidin-3alpha,17-diol|1-acetyl-aspidospermidine-3alpha,17-diol|Spegazzinin, 3-Hydroxy-17-demethyl-(-)-aspidospermin|Spegazzinine
2,11beta-Dimethoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,17beta-diol
3-oxo-ent-13-epi-8(13)-epoxy-15-chloro-14-hydroxylabdane|agallochin A
3-(hydroperoxymethyl)-6-(2-hydroxydodecan-2-yl)-4-methoxy-2H-pyran-2-one|peroxymonascuspyrone
19(S)-hydroxy-Nb-methylraumacline|19(S)-hydroxy-Nbeta-methylraumacline
(cis)-chrysanthenol beta-D-glucopyranoside 6-acetate
16,17-Dihydrosecodin-17-ol|2-{3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]-indol-2-yl}-3-hydroxy-propionic acid methyl ester
Lehualide I
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by methoxy groups at positions 3 and 4, a methyl group at position 5 and a 10-(methylsulfanyl)decyl group at position 6. Isolated from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells.
1a,2,6,7,7a,7b-hexahydro-3-hydroxy-1-octyl-7-oxo-1H-cyclobut[bc]acenaphthylene-5-carboxylic acid|beilschmiedic acid G
4beta-hydroxy-6alpha-benzoyl-7-daucen-9-one|feruhermonin A
(E)-3-(3,7-dimethyl-1-oxo-2,6-octadienyl)-4-hydroxy-5-(3-methyl-2-butenyl)benzoic acid
(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
8-Ac,Me ester-(1beta,4alpha,6alpha,8alpha)-1,4,6,8-Tetrahydroxy-11(13)-eudesmen-12-oic acid
(-)-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
(-)-O-ethyl-14-epimelohenine B|(3alpha,14alpha,16alpha)-14,15-dihydro-2,7-secoeburnamenine-2,7-dione|(6aS,7S,1bS)-16-ethoxy-7-ethyl-7,8,9,19,12,13-hexahydro-14H-5,7-ethanopyrido[2,1-c][1,4]benzodiazonine-6,14(6aH)-dione
2,6-dimethyl-3-hydroxymethyl-1,4,6-heptatriene-9-O-(6-acetyl-beta-D-glucopyranoside)
3,12-dioxo-23,24-dinor-chola-4,6-dien-22-oic acid|3,12-Dioxo-23,24-dinor-chola-4,6-dien-22-saeure|3,12-dioxo-23,24-dinorchola-4,6-dienoic acid
rel-(1R,5R)-2-(1-farnesyl-5-hydroxy-2-oxocyclohex-3-en-1-yl)-acetic acid delta-lactone
3-hydroxy-3,4-seco-coronaridine|3-Hydroxy-3,4-secocoronaridine
16-beta-acetyloxy-pregn-4,17(20)-trans-dien-3-one|16beta-acetyloxy-pregn-4,17(20)-(trans)-dien-3-one
Xanthoplanine
Xanthoplanine is an isoquinoline alkaloid. Xanthoplanine is a natural product found in Thalictrum foliolosum, Dehaasia incrassata, and other organisms with data available.
(2-{4,5-Dimethoxy-2-[2-(4-methoxy-phenyl)-vinyl]-phenyl}-ethyl)-trimethyl-ammonium
(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
C22H28O4_Benzene, 1,2,3-trimethoxy-5-[2-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]ethyl]
NNEI - N-1-naphthalenyl-1-pentyl-1H-indole-3-carboxamide 20 NCE
NNEI - N-1-naphthalenyl-1-pentyl-1H-indole-3-carboxamide 30 NCE
NNEI - N-1-naphthalenyl-1-pentyl-1H-indole-3-carboxamide 40 NCE
(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]
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based: Match]
Ala Ala Pro Val
Ala Ala Val Pro
Ala Gly Ile Pro
Ala Gly Leu Pro
Ala Gly Pro Ile
Ala Gly Pro Leu
Ala Ile Gly Pro
Ala Ile Pro Gly
Ala Leu Gly Pro
Ala Leu Pro Gly
Ala Pro Ala Val
Ala Pro Gly Ile
Ala Pro Gly Leu
Ala Pro Ile Gly
Ala Pro Leu Gly
Ala Pro Val Ala
Ala Val Ala Pro
Ala Val Pro Ala
Gly Ala Ile Pro
Gly Ala Leu Pro
Gly Ala Pro Ile
Gly Ala Pro Leu
Gly Ile Ala Pro
Gly Ile Pro Ala
Gly Leu Ala Pro
Gly Leu Pro Ala
Gly Pro Ala Ile
Gly Pro Ala Leu
Gly Pro Ile Ala
Gly Pro Leu Ala
Ile Ala Gly Pro
Ile Ala Pro Gly
Ile Gly Ala Pro
Ile Gly Pro Ala
Ile Pro Ala Gly
Ile Pro Gly Ala
Leu Ala Gly Pro
Leu Ala Pro Gly
Leu Gly Ala Pro
Leu Gly Pro Ala
Leu Pro Ala Gly
Leu Pro Gly Ala
Pro Ala Ala Val
Pro Ala Gly Ile
Pro Ala Gly Leu
Pro Ala Ile Gly
Pro Ala Leu Gly
Pro Ala Val Ala
Pro Gly Ala Ile
Pro Gly Ala Leu
Pro Gly Ile Ala
Pro Gly Leu Ala
Pro Ile Ala Gly
Pro Ile Gly Ala
Pro Leu Ala Gly
Pro Leu Gly Ala
Pro Val Ala Ala
Val Ala Ala Pro
Val Ala Pro Ala
Val Pro Ala Ala
(R,E)-S-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl ethanethioate
methyl 9-hydroperoxy-10,12-epidioxy-13,15-octadecadienoate
methyl 13,15-epidioxy-16-hydroperoxy-9,11-octadecadienoate
methyl 10,12-epidioxy-13-hydroperoxy-8E,15Z-octadecadienoate
methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate
methyl 9,12-dihydroperoxy-10E,13E,15Z-octadecatrienoate
methyl 9,16-dihydroperoxy-10E,12,14E-octadecatrienoate
methyl 13,16-dihydroperoxy-9Z,11E,14E-octadecatrienoate
methyl 10,12-dihydroperoxy-8E,13E,15Z-octadecatrienoate
methyl 13,15-dihydroperoxy-9Z,11E,16E-octadecatrienoate
methyl 10,16-dihydroperoxy-8E,12Z,14E-octadecatrienoate
methyl 9,15-dihydroperoxy-10E,12Z,16E-octadecatrienoate
methyl 11-(3,5-epidioxy-2-ethyl-cyclopentyl)-9-hydroperoxy-10-undecenoate
methyl 9-hydroperoxy-10,13-epdioxy-11,15-octadecadienoate
methyl 12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoate
g-Crocetin
Crocetine dimethyl ester (Dimethylcrocetin) is found in the stigmas of saffron (Crocus sativus L.), and has antioxidant activity[1].
Piperochromanoic acid
5,7-Megastigmadien-9-ol glucoside
Pibutidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
FA 22:8;O2
Canangalia D
(9β,11β,16α)-9,11-Epoxy-21-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione
7-(2,5-dihydroxy-3,4,6-trimethylphenyl)-7-phenylheptanoic acid
N-((S)-1-(((R)-1-hydroxy-3-methylbutyl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide
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
N,N-dimethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine
quinestradol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5-O-TBDMS-thymidine
5'-O-TBDMS-dT is a nucleoside with protective and modification effects.
ethenyl acetate,6-methylheptyl prop-2-enoate,2-methylprop-2-enoic acid
(N-tert-Butoxycarbonyl-N-[(1R)-hydroxy-1-phenyl)ethyl])-4-aminophenylethylamine
cis-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)stilbene
6-(2-Hydroxybenzylamino)-2-(3-hydroxypropylamino)-9-isopropylpurine
(2S,4R)-1-((S)-2-(cyclopentyloxycarbonyl)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
2-([1,1:3,1-terphenyl]-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4,4,5,5-tetramethyl-2-[1,1:3,1-terphenyl]-4-yl-1,3,2-Dioxaborolane
(9beta,11beta,16alpha)-9,11-Epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione
(2R,3R)-N-((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)-3-Methoxy-2-Methyl-3-((S)-pyrrolidin-2-yl)propanaMide (hydrochloride)
Pregna-9(11),16-dien-20-one,3-(acetyloxy)-, (3b,5a)-
Diethyl 3,5-di-tert-butyl-4-hydroxybenzyl phosphate
vamorolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Methylnaltrexone
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist
6-Methyl-5-[3-Methyl-3-(3,4,5-Trimethoxyphenyl)but-1-Yn-1-Yl]pyrimidine-2,4-Diamine
Isoxazole, 5-(7-(4-((4R)-4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
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].
Cyclizine Lactate
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent
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
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.
Methyl 3,11-dioxopregna-4,17(20)-dien-21-oate (Z)-
1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol
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
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
2-[4-[[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]butyl]guanidine
[(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
D004791 - Enzyme Inhibitors
[3-Carboxy-2-(8-carboxy-3,4-dimethylideneoctanoyl)oxypropyl]-trimethylazanium
Crocetin dimethyl ester
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Crocetine dimethyl ester (Dimethylcrocetin) is found in the stigmas of saffron (Crocus sativus L.), and has antioxidant activity[1].
Ethanol, 2-[2-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]ethoxy]-
2,2-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5-dione
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.
1,2,3-Trimethoxy-5-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]benzene
4-[[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl]-2,6-dimethoxyphenol
(7S,14S)-(-)-7-Methyl-10-O-demethylxylopinine
A natural product found in Annona glabra.
7-(4-Ethylpiperazin-1-yl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
1,2-Dihydroacenaphthylen-5-yl-[1-(2-pyridinylmethyl)-3-piperidinyl]methanone
N-(2-methoxyphenyl)-4-(4-morpholinyl)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine
N-(4-methoxyphenyl)-4-(4-morpholinyl)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine
(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
(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
(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
(5S,8R)-5-(2-methylpropyl)-8-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(1S,5R)-7-[4-(2-methylphenyl)phenyl]-3-(5-pyrimidinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
15-hydroxy-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5-oxolane]-2,3-dione
2-[[(2R)-2-hexanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(2R)-2-[(2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]piperidin-1-yl]propanamide
(2R)-2-[(2R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]piperidin-1-yl]propanamide
2-[4,5-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethyl-trimethylazanium
2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(3-Heptoxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
(17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester
(S)-glaucine(1+)
An organic cation that is the conjugate acid of (R)-glaucine, obtained by protonation of the tertiary amino group; major species at pH 7.3.
3’-O-t-Bulyldimethylsilylthymidine
3’-O-t-Bulyldimethylsilylthymidine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
2-methoxy-3,5-dimethyl-6-[1,3,5-trimethyl-6-(4-oxopent-2-en-2-yl)cyclohexa-2,4-dien-1-yl]pyran-4-one
2-[(1-hydroxy-2-{[hydroxy(3-isopropyl-4-oxooxetan-2-yl)methylidene]amino}-3-methylbutylidene)amino]-3-methylbutanoic 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
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-[(6r)-6-ethenyl-2,6-dimethylcyclohex-1-en-1-yl]acetate
1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-1-yl acetate
(2s,4'ar,8'ar)-5-methoxy-2',5',5',8'a-tetramethyl-4'a,6',7',8'-tetrahydro-3h,4'h-spiro[1-benzofuran-2,1'-naphthalene]-4,7-dione
methyl 2-[(1s,2s,3s,4ar,5r,8r,8as)-3-(acetyloxy)-1,5,8-trihydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoate
(1s,2e,4r,7z,11s,12s)-11-chloro-8-(hydroxymethyl)-1-isopropyl-4,12-dimethyl-15-oxabicyclo[10.2.1]pentadeca-2,7-dien-4-ol
4-(5,7-dimethoxy-2-phenyl-3,4-dihydro-2h-1-benzopyran-8-yl)-2-methylbutan-2-ol
(1s,2s,3r,12s)-9-hydroxy-2-octyl-4-oxotetracyclo[8.2.1.0³,¹².0⁶,¹¹]trideca-6(11),7,9-triene-7-carboxylic acid
4-[(1r,2r,3s,4s)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
2-methoxy-5a,7a,11b-trimethyl-8-methylidene-7,9,10,11,11a,12-hexahydro-6h-5-oxatetraphene-1,4-dione
4-(dodec-11-en-1-yl)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
(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
4,9,13,18-tetramethyl-6,17-dioxatetracyclo[11.5.0.0³,⁷.0¹⁶,¹⁸]octadeca-3(7),4,8,10-tetraen-14-yl acetate
(2s)-3-(acetyloxy)-2-{[(2z)-2-methylbut-2-enoyl]oxy}propyl nonanoate
5-(5-chloro-3,4-dihydroxy-3-methylpentyl)-1,1,4a,6-tetramethyl-4,7,8,8a-tetrahydro-3h-naphthalen-2-one
(2r,3r,9s,10s)-10-ethoxy-12-methyl-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.1³,⁶]pentadeca-1(13),6(15),11-trien-5-one
2-[3-hydroxy-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-1-en-1-yl]benzene-1,4-diol
2-[(1e)-3-hydroxy-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-1-en-1-yl]benzene-1,4-diol
(1r,8z,10z,13r,14s,16s,18r)-4,9,13,18-tetramethyl-6,17-dioxatetracyclo[11.5.0.0³,⁷.0¹⁶,¹⁸]octadeca-3(7),4,8,10-tetraen-14-yl acetate
(5ar,7ar,11ar,11bs)-2-methoxy-5a,7a,11b-trimethyl-8-methylidene-7,9,10,11,11a,12-hexahydro-6h-5-oxatetraphene-1,4-dione
(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-[(6s)-6-ethenyl-2,6-dimethylcyclohex-1-en-1-yl]acetate
(2s)-2-[(1r,3as,3br,9ar,9bs,11as)-9a,11a-dimethyl-7,11-dioxo-1h,2h,3h,3ah,3bh,8h,9h,9bh,10h-cyclopenta[a]phenanthren-1-yl]propanoic acid
(2s,2'r,4'as,8'as)-5-hydroxy-2',5',5',8'a-tetramethyl-6-oxo-3',4',4'a,6',7',8'-hexahydro-2'h-spiro[1-benzofuran-2,1'-naphthalene]-7-carbaldehyde
2-acetoxy-1,15-beyeradiene-3,12-dione
{"Ingredient_id": "HBIN005107","Ingredient_name": "2-acetoxy-1,15-beyeradiene-3,12-dione","Alias": "NA","Ingredient_formula": "C22H28O4","Ingredient_Smile": "CC(=O)OC1=CC2(C(CCC34C2CC(=O)C(C3)(C=C4)C)C(C1=O)(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "134","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
agallochin a
{"Ingredient_id": "HBIN014802","Ingredient_name": "agallochin a","Alias": "NA","Ingredient_formula": "C20H33ClO3","Ingredient_Smile": "CC1(C2CCC3(C(C2(CCC1=O)C)CCC(O3)(C)C(CCl)O)C)C","Ingredient_weight": "356.9 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "684","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101717756","DrugBank_id": "NA"}
agallochin b
{"Ingredient_id": "HBIN014803","Ingredient_name": "agallochin b","Alias": "NA","Ingredient_formula": "C20H33ClO3","Ingredient_Smile": "CC1=C(C2(CCC(=O)C(C2CC1)(C)C)C)CCC(C)(C(CCl)O)O","Ingredient_weight": "356.9 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "685","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15543014","DrugBank_id": "NA"}
alstohentine
{"Ingredient_id": "HBIN015763","Ingredient_name": "alstohentine","Alias": "NA","Ingredient_formula": "C21H28N2O3","Ingredient_Smile": "CC1C(C2CC3C4=C(CC(C2CO1)N3C)C5=CC=CC=C5N4C)(CO)O","Ingredient_weight": "356.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "994","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101730877","DrugBank_id": "NA"}