Exact Mass: 456.1605
Exact Mass Matches: 456.1605
Found 500 metabolites which its exact mass value is equals to given mass value 456.1605
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Atrovirinone
Atrovirinone is found in fruits. Atrovirinone is a constituent of the roots of Garcinia atroviridis (gelugor) Constituent of the roots of Garcinia atroviridis (gelugor). Atrovirinone is found in fruits.
3-Hydroxymethyl-picumast
Azilsartan
Indoxam
Dilmapimod
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2149 - Mitogen-Activated Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
3-Isopropyl-5-(4-(((6-(4-(methylsulfonyl)phenyl)pyridin-3-yl)oxy)methyl)piperidin-1-yl)-1,2,4-oxadiazole
(S)-(+)-Tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
Lactupicrin methyl ester
Lactupicrin methyl ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lactupicrin methyl ester can be found in chicory, which makes lactupicrin methyl ester a potential biomarker for the consumption of this food product.
2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3(30),4,6,10(29),11,13,16(21),17,19,24,27-dodecaene-4,5,8,17-tetrol 1
CONFIDENCE Predicted
11,5-Dihydroxy-2,3,4-trimethoxy-6,6-dimethyl-4,5-dihydropyrano[2,3:9,8]-6a,12a-didehydrorotenone
aspernigrin B
A pyridine alkaloid with formula C27H24N2O5 that is isolated from Aspergillus niger and displays neuroprotective protperties.
Lobaric acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one
6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranose
(2R,3R)-3,3,4,5,7-tetrahydroxy-3-methoxy-6-[6-hydroxy-3,7-dimethyl-2(E),7-octadienyl]flavanone
3,4-ethylenedioxy-5-hydroxy-3-(1-hydroxy-1-methylethyl)-6,7-dimethyl-5-methoxyflavone-8-carboxylic acid
alpha-Pyranose-alpha-L-Rhamnopyranosyl-(1鈥樏傗垎3)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎3)-L-rhamnose|beta-Pyranose-alpha-D-Rhamnopyranosyl-(1鈥樏傗垎3)-alpha-D-rhamnopyranosyl-(1鈥樏傗垎2)-L-rhamnose
Dehydroaustinol
A meroterpenoid produced by Aspergillus nidulans. It has an oxygen-bridged pentacyclic structure which incorporates three lactone functionalities and a spiro union.
3,3,4,5,8-Penta-Me ether,7-O-(3-methyl-2-butenyl)-Gossypetin
ellagic acid 4-O-beta-D-xylopyranoside-3,3-dimethyl ether
6,7-dimethylbenzofuran-5-yl beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside
alpha-D-Rhamnopyranosyl-(1鈥樏傗垎2)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎3)-L-rhamnose|alpha-L-Rhamnopyranosyl-(1鈥樏傗垎2)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎3)-L-rhamnose
7-[(3-methyl-but-2-en-yl)oxy]-5-hydroxy-3,6,8-trimethoxy-3,4-methylenedioxyflavone|7-[(3-methyl-but-2-enyl)oxy]-5-hydroxy-3,6,8-trimethoxy-3,4-methylenedioxyflavone
8-(7??-hydroxy-3??,7??-dimethyl-oct-2??-enyl)quercetin|solophenol C
2-(7??-hydroxy-3??,7??-dimethyl-oct-2??-enyl)quercetin|solophenol B
2-(1,3-Benzodioxole-5-yl)-3,5,8-trimethoxy-7-(2-hydroxy-3-methyl-3-butenyloxy)-4H-1-benzopyran-4-one
3-methyl-O-[alpha-arabinopyranosyl-(1->6)-beta-glucopyranosyl]-6-methyl-benzofuran
1alpha,9beta-difuranoyloxy-2-oxodihydro-beta-agarofuran
3,3-Dimethoxy-2,4-diacetoxy-5-(3-acetoxy-propyl)-stilben|trans-2,4-diacetoxy-5-(3-acetoxypropyl)-3,3-dimethoxystilbene
(1S,3aR,4S,9aR)-4-(4-acetoxy-3-methoxyphenyl)-1,7-dimethoxy-1,3,3a,4,9,9a-hexahydronaphtho<2,3-c>furan-6-yl acetate|formosanol diacetate|Methyl-alpha-conidendraldiacetat|tsugacetal diacetate
2(S)-5,6,7-trihydroxy-5-prenyl-[2,2-(3,4-dihydroxy)-dimethylpyrano]-(5,6:3,4)flavanone
2-acetyl-1-coumaroyl-3-feruloylglycerol|2-acetyl-1-[(E)-p-coumaroyl]-3-[(E)-feruloyl]glycerol
alpha-Pyranose-alpha-L-Rhamnopyranosyl-(1鈥樏傗垎3)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎2)-L-rhamnose
1-O-cinnamoyl-6-O-p-coumaroyl-beta-D-glucopyranoside
Asp Ala His Asp
9-keto Fluprostenol
PF-3845
PF-3845 is a potent, selective, irreversible and orally active inhibitor of fatty acid amide hydrolase (FAAH), with a Ki of 0.23 μM. PF-3845 is a covalent inhibitor that carbamylates FAAH's serine nucleophile. PF-3845 can reduce pain sensation, inflammation, and anxiety/depression without substantial effects on motility or cognition[1][3].
11-keto Fluprostenol
6-[2,3-dihydroxy-3-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one
C25H28O8_(1S,2R,3R,7R,8R,9S,13R)-8-Hydroxy-2,2,2,9,13-pentamethyl-6,16-bis(methylene)-6H-spiro[pyran-3,5-[10,14,17]trioxapentacyclo[7.6.1.1~7,12~.0~1,12~.0~2,7~]heptadecane]-6,11,15-trione
C24H24O9_6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranose
C25H28O8_12H-6,13-Epoxy-8,12a-methano-2H,7H-furo[3,4:6,7]oxireno[3,4]heptaleno[3,2-c]pyran-4,9,12(6H,8H)-trione, 6a,9a,10,12b,13,13a-hexahydro-9a-hydroxy-2,2,6,8,10,12b-hexamethyl-15-methylene
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate
2-[3,4-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enoxy)-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
7-hydroxy-2,6,9,12,17,17-hexamethyl-22-methylidene-5,16,19,21-tetraoxaheptacyclo[10.8.1.1³,⁹.0²,¹¹.0³,⁷.0¹³,¹⁸.0¹⁸,²⁰]docos-13-ene-4,8,15-trione
2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3(30),4,6,10(29),11,13,16(21),17,19,24,27-dodecaene-4,5,8,17-tetrol 2
CONFIDENCE Predicted
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate_major
7-hydroxy-2,6,9,12,17,17-hexamethyl-22-methylidene-5,16,19,21-tetraoxaheptacyclo[10.8.1.1³,⁹.0²,¹¹.0³,⁷.0¹³,¹⁸.0¹⁸,²⁰]docos-13-ene-4,8,15-trione_major
2-[3,4-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enoxy)-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one_major
7-hydroxy-2,6,9,12,17,17-hexamethyl-22-methylidene-5,16,19,21-tetraoxaheptacyclo[10.8.1.1³,?.0²,¹¹.0³,?.0¹³,¹?.0¹?,²?]docos-13-ene-4,8,15-trione
Ala Cys Thr Tyr
Ala Cys Tyr Thr
Ala Asp Asp His
Ala Asp His Asp
Ala His Asp Asp
Ala Thr Cys Tyr
Ala Thr Tyr Cys
Ala Tyr Cys Thr
Ala Tyr Thr Cys
Cys Ala Thr Tyr
Cys Ala Tyr Thr
Cys Phe Gly Met
Cys Phe Met Gly
Cys Phe Ser Thr
Cys Phe Thr Ser
Cys Gly Phe Met
Cys Gly Met Phe
Cys His Pro Thr
Cys His Thr Pro
Cys Met Phe Gly
Cys Met Gly Phe
Cys Pro His Thr
Cys Pro Thr His
Cys Ser Phe Thr
Cys Ser Thr Phe
Cys Thr Ala Tyr
Cys Thr Phe Ser
Cys Thr His Pro
Cys Thr Pro His
Cys Thr Ser Phe
Cys Thr Tyr Ala
Cys Tyr Ala Thr
Cys Tyr Thr Ala
Asp Ala Asp His
Asp Asp Ala His
Asp Asp His Ala
Asp Glu Gly His
Asp Glu His Gly
Asp Gly Glu His
Asp Gly His Glu
Asp His Ala Asp
Asp His Asp Ala
Asp His Glu Gly
Asp His Gly Glu
Glu Asp Gly His
Glu Asp His Gly
Glu Gly Asp His
Glu Gly His Asp
Glu His Asp Gly
Glu His Gly Asp
Phe Cys Gly Met
Phe Cys Met Gly
Phe Cys Ser Thr
Phe Cys Thr Ser
Phe Gly Cys Met
Phe Gly Met Cys
Phe Met Cys Gly
Phe Met Gly Cys
Phe Ser Cys Thr
Phe Ser Thr Cys
Phe Thr Cys Ser
Phe Thr Ser Cys
Gly Cys Phe Met
Gly Cys Met Phe
Gly Asp Glu His
Gly Asp His Glu
Gly Glu Asp His
Gly Glu His Asp
Gly Phe Cys Met
Gly Phe Met Cys
Gly His Asp Glu
Gly His Glu Asp
Gly Met Cys Phe
Gly Met Phe Cys
Gly Met Ser Tyr
Gly Met Tyr Ser
Gly Ser Met Tyr
Gly Ser Tyr Met
Gly Tyr Met Ser
Gly Tyr Ser Met
His Ala Asp Asp
His Cys Pro Thr
His Cys Thr Pro
His Asp Ala Asp
His Asp Asp Ala
His Asp Glu Gly
His Asp Gly Glu
His Glu Asp Gly
His Glu Gly Asp
His Gly Asp Glu
His Gly Glu Asp
His Pro Cys Thr
His Pro Thr Cys
His Thr Cys Pro
His Thr Pro Cys
Met Cys Phe Gly
Met Cys Gly Phe
Met Phe Cys Gly
Met Phe Gly Cys
Met Gly Cys Phe
Met Gly Phe Cys
Met Gly Ser Tyr
Met Gly Tyr Ser
Met Ser Gly Tyr
Met Ser Tyr Gly
Met Tyr Gly Ser
Met Tyr Ser Gly
Pro Cys His Thr
Pro Cys Thr His
Pro His Cys Thr
Pro His Thr Cys
Pro Thr Cys His
Pro Thr His Cys
Ser Cys Phe Thr
Ser Cys Thr Phe
Ser Phe Cys Thr
Ser Phe Thr Cys
Ser Gly Met Tyr
Ser Gly Tyr Met
Ser Met Gly Tyr
Ser Met Tyr Gly
Ser Thr Cys Phe
Ser Thr Phe Cys
Ser Tyr Gly Met
Ser Tyr Met Gly
Thr Ala Cys Tyr
Thr Ala Tyr Cys
Thr Cys Ala Tyr
Thr Cys Phe Ser
Thr Cys His Pro
Thr Cys Pro His
Thr Cys Ser Phe
Thr Cys Tyr Ala
Thr Phe Cys Ser
Thr Phe Ser Cys
Thr His Cys Pro
Thr His Pro Cys
Thr Pro Cys His
Thr Pro His Cys
Thr Ser Cys Phe
Thr Ser Phe Cys
Thr Tyr Ala Cys
Thr Tyr Cys Ala
Tyr Ala Cys Thr
Tyr Ala Thr Cys
Tyr Cys Ala Thr
Tyr Cys Thr Ala
Tyr Gly Met Ser
Tyr Gly Ser Met
Tyr Met Gly Ser
Tyr Met Ser Gly
Tyr Ser Gly Met
Tyr Ser Met Gly
Tyr Thr Ala Cys
Tyr Thr Cys Ala
2-ETHOXYCARBONYL-2-ETHOXYOXALOYLOXYDIHYDROCHRYSIN DIMETHYL ETHER
15-keto Fluprostenol
Atrovirinone
9a-hydroxy-2,2,6,8,10,12b-hexamethyl-15-methylene-6a,7,8,9a,10,12b,13,13a-octahydro-2H,9H,12H-6,13-epoxy-8,12a-methanofuro[3,4:6,7]oxireno[2,3:3,4]heptaleno[3,2-c]pyran-4,9,12(6H)-trione
1H-1-Benzazepine-1-aceticacid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3,4,5-tetrahydro-2-oxo-(9CI)
Methyl 5-acetamido-7,8,9-O-triacetyl-2,6-anhydro-4-azido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonate
3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl)-N-methylpropionamide
n,n-methanetetraylbis[4-[(4-isocyanatophenyl)methyl]-benzenamin
(+)-JQ-1
Azilsartan
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Azilsartan (TAK-536) is an orally active, potent, selective and specific angiotensin II type 1 receptor (AT1) antagonist. Azilsartan induces ROS formation and apoptosis in HepG2 cells. Azilsartan shows neuroprotective and anticancer activity. Azilsartan can be used for hypertension and stroke research[1][2][3][4][5].
5-(8-AMINO-7-CHLORO-2,3-DIHYDROBENZO[B][1,4]DIOXIN-5-YL)-3-(1-PHENETHYLPIPERIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE
AZD 3988
AZD3988 is an orally active diacylglycerol acyl transferase-1 (DGAT-1) inhibitor. AZD3988 has excellent DGAT-1 (human) potency with an IC50 value of 0. 6 nM. AZD3988 can be used for the research of metabolic diseases such as diabetes, obesity[1].
Macozinone
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
(S)-(+)-Tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
1,7-Bis(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
Dilmapimod
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2149 - Mitogen-Activated Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
Tert-butyl 4-[4-[5-(4-chlorophenyl)thiophen-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate
2,15-Dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3(30),4,6,10(29),11,13,16(21),17,19,24,27-dodecaene-4,5,8,17-tetrol
3-Hydroxy-9-methoxy-6-oxo-8-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
(1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate
2-[[4-(3-amino-1-oxo-5,6,6a,7-tetrahydro-2H-imidazo[1,5-f]pteridin-10-ium-8-yl)benzoyl]amino]pentanedioic acid
S-hexanoyl-4-phosphopantetheine
An S-acyl-4-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4-phosphate with the carboxy group of hexanoic acid.
(2E)-2-(4-methylbenzylidene)-6-[4-(2-pyridyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
6-methyl-3-[[[1-(phenylmethyl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
3-(3-Chlorophenyl)-1-[(1-methyl-3-indolyl)methyl]-1-[3-(4-morpholinyl)propyl]thiourea
N-[1,4-dimethyl-2,3-dioxo-7-(1-piperidinyl)-6-quinoxalinyl]-4-ethylbenzenesulfonamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]acetamide
1-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
1-[[(2R,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
(6R,7R,8S)-4-(3-fluorobenzoyl)-8-(hydroxymethyl)-7-(4-((E)-styryl)phenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
alpha-L-rhamnosyl-(1->2)-alpha-L-rhamnosyl-(1->2)-alpha-L-rhamnose
alpha-D-rhamnopyranosyl-(1->2)-alpha-D-rhamnopyranosyl-(1->3)-alpha-D-rhamnopyranose
alpha-D-rhamnopyranosyl-(1->3)-alpha-D-rhamnopyranosyl-(1->2)-alpha-D-rhamnopyranose
alpha-D-abequosyl-(1->3)-alpha-D-mannosyl-(1->4)-alpha-L-rhamnose
alpha-D-rhamnopyranosyl-(1->2)-[alpha-D-rhamnopyranosyl-(1->3)]-alpha-D-rhamnopyranose
2-[(2R,4aS,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
[(3aR,4S,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-8-[2-(4-fluorophenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
1-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
1-[[(2S,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
2-[(2S,4aS,12aS)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
1-[[(2R,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
1-[[(2S,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
1-[[(2R,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
1-[[(2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
2-[(2S,4aS,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(2S,4aR,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
[(3aR,4R,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-8-[2-(4-fluorophenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aR,4R,9bR)-8-(2-fluorophenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aS,4S,9bS)-8-(2-fluorophenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
[(1S)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(3-pyridinyl)methanone
1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-2-methoxyethanone
[(1R)-1-(hydroxymethyl)-7-methoxy-1-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(2-pyridinyl)methanone
(6R,7S,8S)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
2-[(2R,4aR,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(2R,4aR,12aS)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
[(3aR,4S,9bR)-8-(2-fluorophenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aS,4R,9bS)-8-(2-fluorophenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
[(1R)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(3-pyridinyl)methanone
1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-2-methoxyethanone
[(1S)-1-(hydroxymethyl)-7-methoxy-1-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(2-pyridinyl)methanone
(6R,7R,8S)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
3,4,5-trihydroxy-6-[(E)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxyoxane-2-carboxylic acid
6-[2,3-dihydroxy-3-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one
(6R)-5,10-Methenyltetrahydrofolic acid
The 5,10-methenyl derivative of tetrahydrofolic acid arising from enzymatic cyclisation of 5-formyltetrahydrofolic acid.
minocycline(1-)
An organic anion that is the conjugate base of minocycline, obtained by deprotonation of the two enolic hydroxy groups and protonation of the non-aromatic tertiary amino group.
2,15-dioxapentacyclo[22.2.2.1³,⁷.1¹⁰,¹⁴.0¹⁶,²¹]triaconta-1(26),3,5,7(30),10(29),11,13,16,18,20,24,27-dodecaene-4,5,8,17-tetrol
(2s,3r,4s)-2,3,4,5,9-pentahydroxy-8-[(2r,5s,6r)-5-hydroxy-6-methyloxan-2-yl]-2-methyl-3h,4h-benzo[b]fluorene-1,10-dione
(9r,14r)-3,4,5-trimethoxy-10-oxo-11,18,20-trioxapentacyclo[13.7.0.0²,⁷.0⁹,¹³.0¹⁷,²¹]docosa-1(22),2(7),3,5,15,17(21)-hexaen-14-yl acetate
14-hydroxy-2,6,6,13,16,19-hexamethyl-7,15,17,20-tetraoxaspiro[heptacyclo[11.8.1.0¹,¹⁸.0²,¹¹.0⁵,¹⁰.0¹¹,¹⁶.0¹⁴,¹⁸]docosane-22,2'-oxirane]-4,9-diene-8,21-dione
4-benzyl-1-[1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-6-oxopyridine-3-carboximidic acid
(5r,6r)-6,11-dihydroxy-5,17,18-trimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),3,9,11,15(20),16,18-heptaen-13-one
(1'r,2's,3r,9's,12'r,13'r)-12'-hydroxy-2,2,2',6',9',13'-hexamethyl-16'-methylidene-10',14'-dioxaspiro[pyran-3,5'-tetracyclo[7.6.1.0¹,¹².0²,⁷]hexadecan]-6'-ene-6,8',11',15'-tetrone
(10r,11r,15s,16r)-14-oxo-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl acetate
(3s,6s)-3-({4-[(2s)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl}methyl)-1,4-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
(7r,8s,8as)-8-(acetyloxy)-7-methyl-6-oxo-3-[(1e)-prop-1-en-1-yl]-8,8a-dihydro-1h-isochromen-7-yl 2,4-dimethoxy-6-methylbenzoate
{2-[4-(acetyloxy)-3-methoxyphenyl]-5-[3-(acetyloxy)propyl]-2,3-dihydro-1-benzofuran-3-yl}methyl acetate
(10s,11r,15r,16r)-14-oxo-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl acetate
3-(4-amino-5-hydroxy-6-methyloxan-2-yl)-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,12-diol
(1r,2s,4s,7s,9r,10r,14r)-7-(furan-3-yl)-9-methyl-5,11,15-trioxo-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadecan-2-yl (2z)-2-methylbut-2-enoate
8-hydroxy-2,2',2',9,13-pentamethyl-6,16-dimethylidene-10,14,17-trioxaspiro[pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane-5,3'-pyran]-6',11,15-trione
14-oxo-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl acetate
5-(1-bromo-2-hydroxyethyl)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-9-yl acetate
(1s,3ar,4s,9ar)-4-[4-(acetyloxy)-3-methoxyphenyl]-1,7-dimethoxy-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-6-yl acetate
(10r,11r,15s)-12-oxo-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-11-yl acetate
15,16-epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide; (ent-8βh,12βh)-form,2,3-dihydro,6α-angeloyloxy
{"Ingredient_id": "HBIN001568","Ingredient_name": "15,16-epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide; (ent-8\u03b2h,12\u03b2h)-form,2,3-dihydro,6\u03b1-angeloyloxy","Alias": "NA","Ingredient_formula": "C25H28O8","Ingredient_Smile": "NA","Ingredient_weight": "456.48","OB_score": "NA","CAS_id": "96888-53-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9307","PubChem_id": "NA","DrugBank_id": "NA"}
4,5-dihydro-5'α-hydroxy-4'α-methoxy-6α,12α-dehydro-α-toxicarol
{"Ingredient_id": "HBIN010005","Ingredient_name": "4,5-dihydro-5'\u03b1-hydroxy-4'\u03b1-methoxy-6\u03b1,12\u03b1-dehydro-\u03b1-toxicarol","Alias": "NA","Ingredient_formula": "C24H24O9","Ingredient_Smile": "CC1(C(C(C2=C3C(=C(C=C2O1)O)C(=O)C4=C(O3)COC5=CC(=C(C=C54)OC)OC)OC)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5637","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}