Exact Mass: 378.0685672
Exact Mass Matches: 378.0685672
Found 340 metabolites which its exact mass value is equals to given mass value 378.0685672
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mefloquine
Mefloquine is only found in individuals that have used or taken this drug. It is a phospholipid-interacting antimalarial drug (antimalarials). It is very effective against plasmodium falciparum with very few side effects. [PubChem]Mefloquine has been found to produce swelling of the Plasmodium falciparum food vacuoles. It may act by forming toxic complexes with free heme that damage membranes and interact with other plasmodial components. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BC - Methanolquinolines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials COVID info from clinicaltrials, clinicaltrial Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Pyridate
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3208
7-Methylguanosine 5'-phosphate
7-methylguanosine 5-phosphate is part of the RNA degradation pathway. It is a substrate for: m7GpppX diphosphatase, and m7GpppX diphosphatase.
Carbenicillin
Carbenicillin is only found in individuals that have used or taken this drug. It is a broad-spectrum semisynthetic penicillin derivative used parenterally. It is susceptible to gastric juice and penicillinase and may damage platelet function. [PubChem]Free carbenicillin is the predominant pharmacologically active fraction of the salt. Carbenicillin exerts its antibacterial activity by interference with final cell wall synthesis of susceptible bacteria. Penicillins acylate the penicillin-sensitive transpeptidase C-terminal domain by opening the lactam ring. This inactivation of the enzyme prevents the formation of a cross-link of two linear peptidoglycan strands, inhibiting the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that carbenicillin interferes with an autolysin inhibitor. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Chlorflavonin
A dihydroxyflavone that is flavone substituted by a chloro group at position 3, hydroxy groups at positions 5 and 2 and methoxy groups at positions 3, 7 band 8 respectively.
Millettone
6-Methylthiopurine 5'-monophosphate ribonucleotide
C11H15N4O7PS (378.03990500000003)
6-Methylthiopurine 5-monophosphate ribonucleotide, also known as methylthioinosine-5-monophosphate or meTIMP, is a metabolite of mercaptopurine. Mercaptopurine (also called 6-mercaptopurine, 6-MP, or its brand name Purinethol) is an immunosuppressive drug. Mercaptopurine is in the thiopurine and antimetabolite family of medications (Wikipedia). MeTIMP produced from 6-thioinosine monophosphate (6-TIMP) by thiopurine methyltransferase (TPMT) is an active metabolite that can inhibit de novo purine biosynthesis. High concentration of meTIMP has been related to hepatotoxicity and myelotoxicity (PMID: 21311411).
11-Methylgerberinol
11-Methylgerberinol is found in fruits. 11-Methylgerberinol is a constituent of Diospyros kaki (Japanese persimmon). Constituent of Diospyros kaki (Japanese persimmon). 11-Methylgerberinol is found in fruits.
3,4,5-trihydroxy-6-({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)oxane-2-carboxylic acid
C17H14O10 (378.05869440000004)
3,4,5-trihydroxy-6-({7-oxo-7h-furo[3,2-g]chromen-4-yl}oxy)oxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 4-hydroxy-7h-furo[3,2-g]chromen-7-one. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Enterolactone 3'-sulfate
C18H18O7S (378.07731980000005)
Enterolactone 3'-sulfate
C18H18O7S (378.07731980000005)
(2R)-3-Cyclopentyl-2-(4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
C18H22N2O3S2 (378.10717819999996)
6-Methylthiopurine ribonucleoside
C11H15N4O7PS (378.03990500000003)
Edta oxalate
Bis((hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thiocarbonyl)disulfide
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3-chlorophenyl]propanoic acid
Casoxin D
Isolated from the proteolytic digest of human milk casein
6-Bromo-1-ethoxy-1,8-dihydroaplysinopsin
C16H19BrN4O2 (378.06912939999995)
(2R,5aS,7S,9aS)-7-Bromo-2-(bromomethyl)-2,5,5a,6,7,8,9,9a-octahydro-3,6,6,9a-tetramethyl-1-benzoxepin
C15H24Br2O (378.01937739999994)
(8R*)-8-Bromo-10-epi-beta-Snyderol
C15H24Br2O (378.01937739999994)
(+)-6,7-Dihydro-1,5,5-trihydroxy-3,7-dimethyl-2,2-binaphthalene-1,4,8(5H)-trione
2-Bromo-4-(4-bromo-3,3-dimethylcyclohexyl)-1-methyl-7-oxabicyclo[2.2.1]heptane
C15H24Br2O (378.01937739999994)
Isomillettone
Pongachromene
Glabratephrinol
Anastatin A
anastatin B
5-Methoxy-6,6-dimethyl-3,4-methylenedioxypyrano[2,3:7,8]flavone
Durmillone
Jamaicin
3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-benzo[f][2]benzofuran-3-one
3,3-Dimethyl-9,10-dimethoxy-3H,7H-benzofuro[2,3-b]pyrano[2,3-h][1]benzopyran-7-one
1-(4-Hydroxyphenyl)-6,9-dihydroxy-7-methyl-8-acetyl-1,2-dihydro-3H-naphtho[2,1-b]pyran-3-one
Methyl 2,3,4,6-tetra-O-acetyl-b-D-thiogalactopyranoside
6-methoxy-3,4-methylenedioxy-2,2-dimethylpyrano[7,8;5,6]isoflavone|durmillone
jusmicranthin methyl ester|jusmicranthin methyl ether
(ent-6alpha,8alpha,10beta,12betaH)-17-Chloro-15,16-epoxy-8-hydroxy-19-nor-4,13(16),14-clerodatriene-18,6:20,12-diolide
14-hydroxy-8beta-methacryloyloxy-3-chlorodehydroleucodin
(1R,2S,3S,4R)-3-acetoxy-1,2,4,5-tetrahydroxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroanthracene-9,10-dione|3-O-acetyl altersolanol M
(2S*,6R*,8R*,9R*)-2,8-dibromo-9-hydroxy-beta-chamigrene
C15H24Br2O (378.01937739999994)
vaccihein A
A benzoate ester that is methyl (2,4-dihydroxyphenyl)acetate attached to a (4-hydroxy-3,5-dimethoxybenzoyl)oxy group. Isolated from Vaccinium ashei, it exhibits antioxidant activity.
(-)-nor-dehydrorotenone|4,5-dimethoxycoumarono-2-isopropenyl-2,3-dihydrofurano(4,5:8,7)chromone
1,5-dihydroxy-2,3,6,7,8-pentamethoxyxanthone|Securidacaxanthone A
5-(3,4-Dimethoxyphenyl)naphtho[2,3-d]-1,3-dioxole-6,7-dicarboxylic anhydride
3-(6-methoxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one
6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
C18H18O9_Naphtho[2,3-c]furan-1(3H)-one, 8-(beta-D-glucopyranosyloxy)-9-hydroxy
mefloquine
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BC - Methanolquinolines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents COVID info from clinicaltrials, clinicaltrial Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
3-(6-methoxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one [IIN-based: Match]
3-(6-methoxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one [IIN-based on: CCMSLIB00000846141]
4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-benzo[f][2]benzofuran-3-one_major
Cys Cys Gly Pro
Cys Cys Pro Gly
Cys Gly Cys Pro
Cys Gly Pro Cys
Cys Pro Cys Gly
Cys Pro Gly Cys
Gly Cys Cys Pro
Gly Cys Pro Cys
Gly Pro Cys Cys
Pro Cys Cys Gly
Pro Cys Gly Cys
Pro Gly Cys Cys
11-methylgerberinol
7-methylguanosine 5'-phosphate
2-Deoxy-2,2-difluoro-D-ribofuranose-3,5-di benzoate
C19H16F2O6 (378.09148999999996)
N-(2,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
N-(2,5-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
Thiazolidine, 3-[(4-methyl-3-nitrophenyl)sulfonyl]-2-(4-methylphenyl)- (9CI)
Polyethylene glycol, disulfobutyl ether, disodium salt
3-(4-Bromo[1,1-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol
2-Deoxy-2,2-difluoro-D-ribofuranose-3,5-dibenzoate
C19H16F2O6 (378.09148999999996)
(2R)-7β-Bromo-2-(bromomethyl)-2,5,5aα,6,7,8,9,9a-octahydro-3,6,6,9aβ-tetramethyl-1-benzoxepin
C15H24Br2O (378.01937739999994)
Ro 28-1675
C18H22N2O3S2 (378.10717819999996)
Methyl 2-[5-[2-(2,4-Dichlorophenoxy)phenyl]-2H-tetrazol-2-yl]acetate
C16H12Cl2N4O3 (378.02864220000004)
(4-methoxyphenyl) 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
1-Piperazineethanol, 4-[(5-bromo-2-methoxyphenyl)sulfonyl]
RO28-0450
C18H22N2O3S2 (378.10717819999996)
Vortioxetine hydrobromide
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Vortioxetine hydrobromide is a multimodal serotonergic agent, inhibits 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT with Ki values of 15 nM, 33 nM, 3.7 nM, 19 nM and 1.6 nM, respectively.
3,5-bis-(Chloromethyl)octamethyltetrasiloxane
C10H28Cl2O3Si4 (378.04925180000004)
METHYL 2,3,4,6-TETRA-O-ACETYL-1-THIO-ALPHA-D-MANNOPYRANOSIDE
2-Deoxy-2,2-difuoro-D-ribofuranose-3,5-dibenzoate
C19H16F2O6 (378.09148999999996)
1-(2,6-Dichlorophenyl)-2-indolinone
C18H16Cl2N2O3 (378.05379259999995)
(3,5-bis(trifluoromethyl)phenyl)(3,4-dimethoxyphenyl)methanone
6-(difluoro(6-(1-Methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)Methyl)quinoline
2-DEOXY-2,2-DIFLUORO-D-RIBOFURANOSE-3,5-DIBENZOATES
C19H16F2O6 (378.09148999999996)
methyl 2,3,4,6-tetra-o-acetyl-beta-d-thiogalactopyranoside
methyl 2,3,4,6-tetra-o-acetyl-beta-d-thioglucopyranoside
N-[4-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]acetamide
4,6-dimethylpyrimidin-2-ol--1,2,3,4-tetrahydro-2-methyl-1,4-dioxonaphthalene-2-sulphonic acid (1:1)
Phenothiazine, 2-chloro-7,8-dimethoxy-10-(3-(dimethylamino)propyl)-
Ethyl 4-[(4-tert-butylbenzoyl)amino]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
C18H22N2O3S2 (378.10717819999996)
8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamide
C17H18N2O2S3 (378.05303680000003)
2-[[3-(4-Methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetic acid ethyl ester
2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-(4-methylphenyl)acetamide
[3-(2-Hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-YL}methyl)-D-glutamic acid
(R)-S-lactoylglutathionate(1-)
C13H20N3O8S- (378.09710600000005)
Conjugate base of (R)-S-lactoylglutathione. D000970 - Antineoplastic Agents
3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine
3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-D-galactosamine(1-)
4-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-galactose
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2,6,8-trioxo-3,7-dihydropurin-9-yl)oxolan-2-yl]methyl phosphate
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3-chlorophenyl]propanoic acid
Espicufolin
A naphthochromene that is 4H-naphtho[2,3-h]chromene which is substituted at position 2 by a (2R)-butan-2-yl group, at position 5 by a hydroxymethyl group, at position 11 by a hydroxy group, and at positions 4, 7, and 12 by oxogroups. An antibiotic isolated from Streptomyces sp. cu39, it exerts a potent protecting effect on neuronal cells through suppressing L-glutamate toxicity.
2-[5-[(4-Methylphenyl)methylthio]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
C20H18N4S2 (378.09728279999996)
1-(4-Acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
C15H14N4O6S (378.06340240000003)
Cyclobutanecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
2-[[5-Methyl-2-[4-(methylthio)phenyl]-4-oxazolyl]methylthio]-1-(4-morpholinyl)ethanone
C18H22N2O3S2 (378.10717819999996)
[4-[(2,4-Dichlorophenoxy)methyl]phenyl]-(4-methyl-1-piperazinyl)methanone
N-(2-furanylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-thiophenecarboxamide
beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc(1-)
4-(3-Bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
2-[2-[2,5-Dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]isoindole-1,3-dione
2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester
4-chloro-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide
Thiocyanic acid [3-methoxy-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]phenyl] ester
N-[[[(2-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide
C15H11ClN4O4S (378.01895160000004)
N-[5-[methyl-(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-tert-butylsulfonylprop-2-enenitrile
6-bromo-N-(2-methylphenyl)-2-pyridin-4-yl-3-imidazo[1,2-a]pyridinamine
N-(4-fluorophenyl)-4-(2-oxolanylmethylsulfamoyl)benzamide
C18H19FN2O4S (378.10495060000005)
N-cyclopropyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide
6-[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl]-5-thieno[2,3-b]pyrrolecarboxylic acid methyl ester
C17H15ClN2O4S (378.04410200000007)
beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GlcpNAc(1-)
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GlcpNAc.
5-fluoro-3-[(4-methoxyphenyl)sulfonylamino]-1H-indole-2-carboxylic acid methyl ester
N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
N-[[2-methyl-5-(2-oxazolo[4,5-b]pyridinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)thio]-N-(3-methoxypropyl)acetamide
1-(2-Benzofuranyl)-2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]ethanone
N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
2-(Benzenesulfonamido)acetic acid [2-(4-nitrophenyl)-2-oxoethyl] ester
N-[1,1,1,3,3,3-hexafluoro-2-(2-pyridinylmethylamino)propan-2-yl]-3-pyridinecarboxamide
C15H12F6N4O (378.09152539999997)
4-[(E)-[4-(furan-2-yl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
5,7-Dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate
4-O-(alpha-L-rhamnopyranosyl)-5-O-phosphono-D-ribitol
3-[2-(2-Naphthalenylsulfonyl)-1-oxoethyl]-1-benzopyran-2-one
C21H14O5S (378.05619140000005)
[(3aR,4R,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone
5,8-Dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohex-2-en-1-yl)-3,7-dimethoxychromen-4-one
[3-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
2-(2,3-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-2,3-dihydrochromen-4-one
6-[(2,3-Dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
4,7-DI(Para-ethoxyphenyl)-1,2,5-thiadiazolo(3,4-C)pyridazine
Carbenicillin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic A penicillin antibiotic having a 6beta-2-carboxy-2-phenylacetamido side-chain.
Lariam
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BC - Methanolquinolines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
tetracenomycin D3(2-)
A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 8-hydroxy groups of tetracenomycin D3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
6-Methylthioinosine-5-monophosphate
C11H15N4O7PS (378.03990500000003)
3,4,5-trihydroxy-6-({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)oxane-2-carboxylic acid
C17H14O10 (378.05869440000004)
5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1-)
An aryl sulfate oxoanion that is the conjugate base of 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
alpha-L-Rhap-(1->4)-D-ribitol-5-phosphate
A disaccharide derivative consisting of D-ribitol-5-phosphate having an alpha-L-rhamnosyl residue attached at the 4-position.
torasemide carboxylic acid
C16H18N4O5S (378.09978580000006)
A monocarboxylic acid resulting from the replacement of the 3-methyl group of the phenyl ring of torasemide by a carboxy group. It is a metabolite of torasemide.
DPTIP
DPTIP is a potent brain penetrant neutral sphingomyelinase 2 (N-SMase 2) inhibitor (exosome inhibitor), with an IC50 of 30 nM[1][2].
5-[(1r,3r)-3,5-dibromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
C15H24Br2O (378.01937739999994)
5,11-dihydroxy-2-(3-hydroxybutan-2-yl)-7-methylidene-1-oxatetraphene-4,12-dione
(2s,3r,4s,5s,6r)-2-(3-chloro-6-hydroxy-4-methoxy-2-propylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
5,7-dimethyl-1-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
C18H22N2O3S2 (378.10717819999996)
1',5,5'-trihydroxy-3',7-dimethyl-6',7'-dihydro-5'h-[2,2'-binaphthalene]-1,4,8'-trione
4',6,7,8-tetrahydroxy-1-methyl-1'h-spiro[naphtho[2,3-c]furan-4,2'-quinazolin]-9-one
(3s,4'r,5s,6's,8'r)-6'-(chloromethyl)-5-(furan-3-yl)-6'-hydroxy-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(12')-ene-2,2'-dione
(1s,3r,4r,5r)-1,3,4-trihydroxy-5-{[(2e)-3-(5-hydroxy-1-benzofuran-6-yl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
8-hydroxy-4-oxo-4a,5,8,8a-tetrahydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-5-yl acetate
10-(7-methoxy-2h-1,3-benzodioxol-5-yl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one
(3s)-5-[(1s,3s,5s)-3,5-dibromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
C15H24Br2O (378.01937739999994)
(3ar,4r,9ar,9br)-8-chloro-6-(hydroxymethyl)-9-methyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate
(2r,3r,6r,8s)-2,8-dibromo-3,7,7-trimethyl-11-methylidenespiro[5.5]undecan-3-ol
C15H24Br2O (378.01937739999994)
(3r)-5-[(1r,3r,5r)-3,5-dibromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
C15H24Br2O (378.01937739999994)
8,13,14-trihydroxy-4-(4-hydroxyphenyl)-3,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),8,11(16),12,14-hexaen-6-one
3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-4-one
8-acetyl-1,2-dihydro-6,9-dihydroxy-1-(4-hydroxyphenyl)-7-methyl-3 h -naphtho[2,1- b ]pyran-3-one
{"Ingredient_id": "HBIN013607","Ingredient_name": "8-acetyl-1,2-dihydro-6,9-dihydroxy-1-(4-hydroxyphenyl)-7-methyl-3 h -naphtho[2,1- b ]pyran-3-one","Alias": "NA","Ingredient_formula": "C22H18O6","Ingredient_Smile": "NA","Ingredient_weight": "378.37","OB_score": "NA","CAS_id": "171627-56-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7383","PubChem_id": "NA","DrugBank_id": "NA"}
annulatophenonoside
{"Ingredient_id": "HBIN016247","Ingredient_name": "annulatophenonoside","Alias": "NA","Ingredient_formula": "C18H18O9","Ingredient_Smile": "C1=CC(=C(C(=C1)OC2C(C(C(O2)CO)O)O)C(=O)C3=CC(=CC(=C3)O)O)O","Ingredient_weight": "378.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1340","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102463819","DrugBank_id": "NA"}
(1s,4ar,5r,7s,7ar)-5,7-dihydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C15H22O11 (378.11620619999997)
6-(2,4-dihydroxyphenyl)-4-hydroxy-9-(3-methylbut-2-en-1-yl)furo[3,2-g]chromen-5-one
3-(2h-1,3-benzodioxol-5-yl)-6-methoxy-9,9-dimethylpyrano[3,2-h]chromen-4-one
(4as,5s,8r,8as)-8-hydroxy-4-oxo-4a,5,8,8a-tetrahydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-5-yl acetate
(3s)-5-[(1s,3r,5r)-3,5-dibromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
C15H24Br2O (378.01937739999994)
(2r,5as,7s,9as)-7-bromo-2-(bromomethyl)-3,6,6,9a-tetramethyl-2,5,5a,7,8,9-hexahydro-1-benzoxepine
C15H24Br2O (378.01937739999994)
(2s,3r,4r,5s)-2-[2-(3,5-dihydroxybenzoyl)-3-hydroxyphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol
8,14,15-trihydroxy-4-(4-hydroxyphenyl)-3,11-dioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-6-one
11-hydroxy-2-(2-hydroxybutan-2-yl)-5-methyl-1-oxatetraphene-4,7,12-trione
5,11-dihydroxy-2-[(2r,3s)-3-hydroxybutan-2-yl]-7-methylidene-1-oxatetraphene-4,12-dione
5,7-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C15H22O11 (378.11620619999997)
2-(3-chloro-6-hydroxy-4-methoxy-2-propylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(4as,5r,8s,8as)-8-hydroxy-4-oxo-4a,5,8,8a-tetrahydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-5-yl acetate
1,3,4-trihydroxy-8-methoxy-5-(1,3,4-trihydroxybutan-2-yl)xanthen-9-one
(2r,3r,4s,5s,6r)-2-{[(1r,2s,4s,5r,6s,10s)-5,6-dihydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C15H22O11 (378.11620619999997)
5-hydroxy-4-oxo-4a,5,8,8a-tetrahydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-8-yl acetate
methyl (2r)-2,4-dihydroxy-3-oxo-2',4'-dioxaspiro[indene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaene-2-carboxylate
16-(2h-1,3-benzodioxol-5-yl)-14-methoxy-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-12-one
6'-(chloromethyl)-5-(furan-3-yl)-6'-hydroxy-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(12')-ene-2,2'-dione
(2r,3z)-1-bromo-5-[(1r,3s)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-3-en-2-ol
C15H24Br2O (378.01937739999994)
(2r,7s,9as)-7-bromo-2-(bromomethyl)-3,6,6,9a-tetramethyl-2,5,5a,7,8,9-hexahydro-1-benzoxepine
C15H24Br2O (378.01937739999994)
8-chloro-6-(hydroxymethyl)-9-methyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate
8-bromo-7-hydroxy-1-isopropyl-3a,9-dimethyl-1h,2h,3h,4h,10bh-benzo[e]azulene-5,6-dione
C19H23BrO3 (378.08304680000003)
2,8-dibromo-3,7,7-trimethyl-11-methylidenespiro[5.5]undecan-3-ol
C15H24Br2O (378.01937739999994)
9-hydroxy-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
(1s,3r,4r,5r)-1,3,4-trihydroxy-5-{[3-(5-hydroxy-1-benzofuran-6-yl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
(2r,3z)-1-bromo-5-[(3s)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-3-en-2-ol
C15H24Br2O (378.01937739999994)
(1s,2r,3s,4r)-1,3,4,8-tetrahydroxy-6-methoxy-3-methyl-9,10-dioxo-2,4-dihydro-1h-anthracen-2-yl acetate
2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethenyl]furo[3,2-c]pyran-4-one
methyl 2,4-dihydroxy-3-oxo-2',4'-dioxaspiro[indene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaene-2-carboxylate
2-(3,4-dihydroxyphenyl)-6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]furo[3,2-c]pyran-4-one
9-hydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
(5r)-5-[(6-bromo-1h-indol-3-yl)methyl]-5-ethoxy-2-imino-1,3-dimethylimidazolidin-4-one
C16H19BrN4O2 (378.06912939999995)
5-[(3s)-3,5-dibromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
C15H24Br2O (378.01937739999994)
(8r)-3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-4-one
[(4r,9s,10s,10as)-4-[(acetyloxy)methyl]-10-hydroxy-2,6-diimino-octahydropyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
C11H18N6O7S (378.09576380000004)
9,13,14-trihydroxy-5-(4-hydroxyphenyl)-4,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),2,8,11(16),12,14-hexaen-7-one
6-{6-[(2e)-but-2-en-2-yl]-2,4-dihydroxy-3-methylphenoxy}-3-chloro-4-hydroxy-2-methylbenzoic acid
methyl 2-(1,2,3,4,6,7,8-heptahydroxy-10-oxo-9h-anthracen-9-yl)acetate
C17H14O10 (378.05869440000004)
(3z)-1-bromo-5-[(1r,3s)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-3-en-2-ol
C15H24Br2O (378.01937739999994)
(3s,4'r,5s,6's,8's)-6'-(chloromethyl)-5-(furan-3-yl)-6'-hydroxy-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(12')-ene-2,2'-dione
15-chloro-6,14-dihydroxy-4-(2-hydroxybutan-2-yl)-7,12-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
(2r,3r,6r,10s)-2,10-dibromo-3,7,11,11-tetramethylspiro[5.5]undec-7-en-3-ol
C15H24Br2O (378.01937739999994)
6,9,10,14,19-pentahydroxy-4,9-dimethylpentacyclo[13.3.1.0⁵,¹⁸.0⁸,¹⁷.0¹¹,¹⁶]nonadeca-1(19),3,5,7,10,13,15,17-octaene-2,12-dione
2,10-dibromo-3,7,11,11-tetramethylspiro[5.5]undec-7-en-3-ol
C15H24Br2O (378.01937739999994)
(4as,5s,8r,8as)-5-hydroxy-4-oxo-4a,5,8,8a-tetrahydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-8-yl acetate
(2r,3r,8s)-2,8-dibromo-3,7,7-trimethyl-11-methylidenespiro[5.5]undecan-3-ol
C15H24Br2O (378.01937739999994)
(4s)-8,13,14-trihydroxy-4-(4-hydroxyphenyl)-3,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),8,11(16),12,14-hexaen-6-one
2-{6,7,8-trihydroxy-1-methyl-4,9-dioxobenzo[f]isoindol-2-yl}benzenecarboximidic acid
(10s,12r,14s,16s)-6,12,14-trihydroxy-4-methoxy-10-methyl-8-oxo-9,15-dioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(17),2,4,6-tetraene-14-carboxylic acid
8-(2h-1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[2,3-f]chromen-10-one
methyl 2-[(9s)-1,2,3,4,6,7,8-heptahydroxy-10-oxo-9h-anthracen-9-yl]acetate
C17H14O10 (378.05869440000004)
(2s,3r,4s,5s,6r)-2-{[(1s,2s,4s,5r,6s,10s)-5,6-dihydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C15H22O11 (378.11620619999997)
(5's)-1',5,5'-trihydroxy-3',7-dimethyl-6',7'-dihydro-5'h-[2,2'-binaphthalene]-1,4,8'-trione
11-hydroxy-2-(3-hydroxybutan-2-yl)-5-methyl-1-oxatetraphene-4,7,12-trione
16-(2h-1,3-benzodioxol-5-yl)-10-methoxy-4,6,12-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-14-one
5-(3,5-dibromo-2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-1-en-3-ol
C15H24Br2O (378.01937739999994)
3-(4-methoxy-2h-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[3,2-g]chromen-2-one
(14s)-16-(2h-1,3-benzodioxol-5-yl)-14-methoxy-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-12-one
(5'r)-1',5,5'-trihydroxy-3',7-dimethyl-6',7'-dihydro-5'h-[2,2'-binaphthalene]-1,4,8'-trione
(1r,4r)-5,7-dimethyl-1-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
C18H22N2O3S2 (378.10717819999996)
5,7-dimethyl-1-[(4-{[(1e)-3-methylbut-1-en-1-yl]oxy}phenyl)methyl]-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
C18H22N2O3S2 (378.10717819999996)
1,4,8-trihydroxy-3-methoxy-5-(1,3,4-trihydroxybutan-2-yl)xanthen-9-one
(1r,2r,4s)-2-bromo-4-[(1s,4s)-4-bromo-3,3-dimethylcyclohexyl]-1-methyl-7-oxabicyclo[2.2.1]heptane
C15H24Br2O (378.01937739999994)
11-hydroxy-5-(hydroxymethyl)-2-(sec-butyl)-1-oxatetraphene-4,7,12-trione
(2r,5ar,7s,9as)-7-bromo-2-(bromomethyl)-3,6,6,9a-tetramethyl-2,5,5a,7,8,9-hexahydro-1-benzoxepine
C15H24Br2O (378.01937739999994)
7-methyl-3-(5,6,7-trihydroxy-4-methyl-1,3-dihydro-2-benzofuran-1-yl)-1,3-dihydro-2-benzofuran-1,4,5,6-tetrol
(4as,5r,8s,8as)-5-hydroxy-4-oxo-4a,5,8,8a-tetrahydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-8-yl acetate
5-[(5r)-3,5-dibromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
C15H24Br2O (378.01937739999994)
5-[(1r,5s)-3,5-dibromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
C15H24Br2O (378.01937739999994)
(2s,5r,6r)-6-[(2-carboxy-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2s,3s,6s,10r)-2,10-dibromo-3,7,11,11-tetramethylspiro[5.5]undec-7-en-3-ol
C15H24Br2O (378.01937739999994)
(1r,3as,10bs)-8-bromo-7-hydroxy-1-isopropyl-3a,9-dimethyl-1h,2h,3h,4h,10bh-benzo[e]azulene-5,6-dione
C19H23BrO3 (378.08304680000003)
2-{[5,6-dihydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C15H22O11 (378.11620619999997)