Exact Mass: 352.0322934
Exact Mass Matches: 352.0322934
Found 243 metabolites which its exact mass value is equals to given mass value 352.0322934,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Daphnoretin
Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2]. Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2].
Petunidin
Petunidin chloride is an anthocyanidin chloride that has petunidin as the cationic component. It has a role as a metabolite. An anthocyanidin chloride that has petunidin as the cationic component.
4-Methylumbelliferone glucuronide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Griseofulvin
Griseofulvin is only found in individuals that have used or taken this drug. It is an antifungal antibiotic. Griseofulvin may be given by mouth in the treatment of tinea infections. [PubChem]Griseofulvin is fungistatic, however the exact mechanism by which it inhibits the growth of dermatophytes is not clear. It is thought to inhibit fungal cell mitosis and nuclear acid synthesis. It also binds to and interferes with the function of spindle and cytoplasmic microtubules by binding to alpha and beta tubulin. It binds to keratin in human cells, then once it reaches the fungal site of action, it binds to fungal microtubes thus altering the fungal process of mitosis. D - Dermatologicals > D01 - Antifungals for dermatological use > D01B - Antifungals for systemic use > D01BA - Antifungals for systemic use D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AA - Antibiotics D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Griseofulvin(Gris-PEG; Grifulvin) is a spirocyclic fungal natural product used in treatment of fungal dermatophytes; Antifungal drug.
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid is isolated from the enzymic hydrolysate of pectin produced by the pectin-trans eliminase from Bacillus polymyxa or commercial pectinase. Isolated from the enzymic hydrolysate of pectin produced by the pectin-trans eliminase from Bacillus polymyxa or commercial pectinase
4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
C20H16O4S (352.07692560000004)
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
Daphnoretin
Daphnoretin is a member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3. It has a role as a metabolite, an antiviral agent and an antineoplastic agent. It is a hydroxycoumarin and an aromatic ether. It is functionally related to a coumarin. Daphnoretin is a natural product found in Coronilla scorpioides, Edgeworthia chrysantha, and other organisms with data available. A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3. Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2]. Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2].
Halazepam
Halazepam is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a trifluoromethyl derivative of nordazepam. While its structure may be similar to chlordiazepoxide and diazepam, it has both less toxicity and less tendency to cause paradoxical hostility and aggression than either of them. [Wikipedia] D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Chlorogenoquinone
Forms coloured adducts with amino acids and peptides, implicated in food discolouration. Chlorogenoquinone is found in many foods, some of which are wild carrot, carrot, blackcurrant, and pear. Chlorogenoquinone is found in blackcurrant. Chlorogenoquinone forms coloured adducts with amino acids and peptides, implicated in food discolouratio
13alpha-Hydroxydolineone
13alpha-Hydroxydolineone is found in jicama. 13alpha-Hydroxydolineone is a constituent of Pachyrrhizus erosus (yam bean) Constituent of Pachyrrhizus erosus (yam bean). 13alpha-Hydroxydolineone is found in jicama and pulses.
Decarbamoylgonyautoxin III
Decarbamoylgonyautoxin II is found in mollusks. Decarbamoylgonyautoxin II is isolated from various shellfish. Isolated from various shellfish. Decarbamoylgonyautoxin III is found in mollusks.
Thelephoric acid
Thelephoric acid is found in mushrooms. Thelephoric acid is a constituent of the cap skin of Suillus grevillei (larch bolete)
3'-O-Methyl-(-)-epicatechin-5-O-sulphate
3-O-Methyl-(-)-epicatechin-5-O-sulphate is an urinary and gut-derived metabolite of epicatechin.
4'-O-Methyl-(-)-epicatechin-5-O-sulphate
4-O-Methyl-(-)-epicatechin-5-O-sulphate is an urinary and gut-derived metabolite of epicatechin.
4'-O-Methyl-(-)-epicatechin-7-O-sulphate
4-O-Methyl-(-)-epicatechin-7-O-sulphate is an urinary and gut-derived metabolite of epicatechin.
Naringenin 7-sulfate
C15H12O8S (352.02528720000004)
4-Methyl-2-oxo-2H-1-benzopyran-7-yl alpha-L-ido-pyranosiduronic acid
3-(2,4-Dichloro-5-methoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone
C15H10Cl2N2O2S (351.98400200000003)
s-Nitroglutathione
5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
2-(5-Chloro-2-fluorophenyl)-N-(pyridin-4-yl)pteridin-4-amine
5-amino-6-(5-phospho-D-ribosylamino)uracil
5-amino-6-(5-phospho-d-ribosylamino)uracil is a member of the class of compounds known as pentose phosphates. Pentose phosphates are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. 5-amino-6-(5-phospho-d-ribosylamino)uracil is soluble (in water) and a moderately acidic compound (based on its pKa). 5-amino-6-(5-phospho-d-ribosylamino)uracil can be found in a number of food items such as sunflower, orange bell pepper, mexican groundcherry, and white lupine, which makes 5-amino-6-(5-phospho-d-ribosylamino)uracil a potential biomarker for the consumption of these food products.
6-hydroxymethyl-dihydropterin diphosphate
6-hydroxymethyl-dihydropterin pyrophosphate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 6-hydroxymethyl-dihydropterin pyrophosphate can be found in a number of food items such as black huckleberry, chickpea, chinese chives, and annual wild rice, which makes 6-hydroxymethyl-dihydropterin pyrophosphate a potential biomarker for the consumption of these food products. 6-hydroxymethyl-dihydropterin pyrophosphate exists in E.coli (prokaryote) and yeast (eukaryote).
5-O-(3-Chloro-2-hydroxy-3-methylbutyl)-8-methoxypsoralen
5,7,4-Trihydroxyflavanone 7-sulfate
C15H12O8S (352.02528720000004)
Thelephoric acid
12a-Hydroxydolineone
2-Propynyl N-[6-(phenylsulfanyl)-5-(trifluoromethyl)-3-pyridinyl]carbamate
Daphnoretin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.010 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.011 Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2]. Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2].
(+)-12a-Hydroxydolineone|(??)-12a-Hydroxydolineone
7-chloro-2,5,6-trimethoxy-6-methylspiro(benzofuran-2(3H),1-(2)cyclohexene)-3,4-dione|7-chloro-2,5,6-trimethoxy-6-methylspiro[benzofuran-2(3H),1-(2)cyclohexene]-3,4-dione
7-methoxy-6-hydroxy-3,7-dicoumarinic ether|7-Methoxy-6-hydroxy-3,7-dicumarylaether|daphnoretin|rutamontine
O1-(2,2,2-Trichlor-1,1-dimethyl-aethyl)-beta-D-glucopyranuronsaeure|O1-(2,2,2-trichloro-1,1-dimethyl-ethyl)-beta-D-glucopyranuronic acid
5,8-Dihydroxy-7-(4-hydroxy-5-methylcoumarin-3-yl)coumarin
3-Methyl-6,8-dihydroxy-13-hydroxymethyl-1,2-(epoxypropano)anthracene-12-ene-9,10,11-trione
3-hydroxy-6-methoxy-7,7-dicoumarinyl ether|neodaphnoretin
1-hydroxy-3-methoxy-6-sulfoxy-8-methylxanthone
C15H12O8S (352.02528720000004)
O1-((Xi)-2,2,3-Trichlor-butyl)-beta-D-glucopyranuronsaeure|O1-((Xi)-2,2,3-trichloro-butyl)-beta-D-glucopyranuronic acid
Tetra-Ac-6-Hydroxymethyl-2,3,4-trihydroxybenzaldehyde
4-(2-Hydroxy-3-chloro-3-methylbutoxy)-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
4-Methoxy-9-(2-hydroxy-3-methyl-3-chlorobutoxy)-7H-furo[3,2-g][1]benzopyran-7-one
4-Methylumbelliferylglucuronide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes relative retention time with respect to 9-anthracene Carboxylic Acid is 0.488 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2121; CONFIDENCE confident structure
Griseofulvin
An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment. D - Dermatologicals > D01 - Antifungals for dermatological use > D01B - Antifungals for systemic use > D01BA - Antifungals for systemic use D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AA - Antibiotics D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE Reference Standard (Level 1) relative retention time with respect to 9-anthracene Carboxylic Acid is 1.075 Griseofulvin(Gris-PEG; Grifulvin) is a spirocyclic fungal natural product used in treatment of fungal dermatophytes; Antifungal drug.
(1R)-2-chloro-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
4-Methylumbelliferyl glucuronide
CONFIDENCE standard compound; INTERNAL_ID 8327
C17H17ClO6_(2R,6R)-7-Chloro-2,4,6-trimethoxy-6-methyl-3H,4H-spiro[1-benzofuran-2,1-cyclohex[2]ene]-3,4-dione
SC-560
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Halazepam
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Chlorogenoquinone
2-Methyl-2-propanyl [2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]carb amate
Disodium 2-deoxy-5-O-phosphonatouridine
2'-Deoxyuridine 5'-monophosphate disodium is reductively methylated to dTMP (2'-deoxythymidine 5'-monophosphate) by bisubstrate enzyme thymidylate synthase (TS). dTMP is a nucleotide required for DNA synthesis[1]. 2'-Deoxyuridine 5'-monophosphate disodium is reductively methylated to dTMP (2'-deoxythymidine 5'-monophosphate) by bisubstrate enzyme thymidylate synthase (TS). dTMP is a nucleotide required for DNA synthesis[1].
(Pentafluorophenyl)diphenylphosphine
C18H10F5P (352.04402500000003)
Methyl 4-acetoxy-7-bromo-8-methoxy-2-naphthoate
C15H13BrO5 (351.99463080000004)
Ethyl 4-acetoxy-7-chloro-5,8-dimethoxy-2-naphthoate
Methyl 4-acetoxy-8-bromo-5-methoxy-2-naphthoate
C15H13BrO5 (351.99463080000004)
7-Chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine
C14H7Cl2FN4O2 (351.99300739999995)
5-(2-bromothiophen-3-yl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
C13H13BrN4OS (351.99933880000003)
2,3,4-Tri-O-Acetyl-6-Deoxy-alpha-L-Mannopyranosyl Bromide
4-O-Des(difluoromethyl) Roflumilast
C16H14Cl2N2O3 (352.03814339999997)
(1S,2S)-1,2-Bis(2-chlorophenyl)-1,2-ethanediamine dihydrochloride
C14H16Cl4N2 (352.00675359999997)
1,2-Difluor-1,2-bis-[4-trifluormethyl-phenyl]-aethylen
2-CHLORO-N-(4-[4-(2-CHLORO-ACETYLAMINO)-PHENOXY]-PHENYL)-ACETAMIDE
C16H14Cl2N2O3 (352.03814339999997)
(6E)-6-[(2,4-diamino-5-chlorophenyl)hydrazinylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one
3-Bromo-6-(phenylsulfonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
C16H17ClN2O3S (352.06483620000006)
2-[2-(4-Aminobenzamide)ethylsulfonyl]ethanol hydrogen sulfate ester
sodium,2-[(5E)-5-[(1E)-1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
4-(phenanthro 9 10-d!oxazol-2-yl)phe
C22H12N2OS (352.06703020000003)
4-(3-BROMO-PHENYL)-1,6-DIMETHYL-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
2-(2-Chloroacetamido)-5-nitro-2-chlorobenzophenone
C15H10Cl2N2O4 (352.00176000000005)
2-benzofuran-1,3-dione,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol
10-BROMO-2-METHYL-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLINE DIHYDROCHLORIDE
C13H19BrCl2N2 (352.01085739999996)
4-Thiazolecarboxylic acid, 2-[(2,4,5-trimethoxybenzoyl)amino]-,methylester
1-(4-CHLORO-3-NITROBENZENESULFONYL)-1,2,3,4-TETRAHYDROQUINOLINE
C15H13ClN2O4S (352.0284528000001)
Sodium furosemide
Furosemide sodium is a potent and orally active inhibitor of Na+/K+/2Cl-?(NKCC) cotransporter, NKCC1 and NKCC2[1].?Furosemide sodium is also a GABAA?receptors antagonist and displays 100-fold selectivity for?α6-containing receptors than?α1-containing receptors. Furosemide sodium acts as a loop diuretic and used for the study of congestive heart failure, hypertension and edema[2].
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
Uranium hexafluoride
D020011 - Protective Agents > D002327 - Cariostatic Agents > D005459 - Fluorides
Clorazepate monopotassium
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
2-[2-[2-(3-Fluorophenyl)-4-thiazolyl]ethyl]isoindole-1,3-dione
1-[2-[(4-Chlorophenyl)thio]ethyl]-3-(2-methoxyphenyl)thiourea
N-(Propyl(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)formamide
5-[8-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
(R)-2-Chloro-1,7-dihydroxy-3,9-dimethoxy-1-methyl-1H-benzo[c]chromene-4,6-dione
4-Methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-galactopyranosiduronic acid
(3r)-N-(4-Chlorophenyl)-3-(Hydroxymethyl)-1,2,3,4-Tetrahydroisoquinoline-7-Sulfonamide
C16H17ClN2O3S (352.06483620000006)
Thymelol
Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2]. Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2].
Petunidin chloride
Isolated from grapes. Petunidin 3-(p-coumaroylglucoside) is found in fruits and common grape.
4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonic acid
1,4-Dioxo-8-hydroxy-3-(2-formyl-4-methyl-6-hydroxyphenyl)-1,4-dihydronaphthalene-2-carboxylic acid
2-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-hydroxyethenyl]-4-oxopent-2-enedioic acid
4-O-(3beta,4beta-Dihydroxy-6-carboxy-3,4-dihydro-2H-pyran-2beta-yl)-alpha-L-gulo-hexopyranuronic acid
(2R,3S,4S)-2-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
[7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-5-yl] hydrogen sulfate
C15H12O8S (352.02528720000004)
[5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
(3E)-3-(2-carbamothioylhydrazinylidene)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
2-(2-furyl)-3-{[(1E)-2-furylmethylene]amino}-7-nitro-2,3-dihydroquinazolin-4(1H)-one
N-(2-fluorophenyl)-2-[2-(4-thiazolyl)-1-benzimidazolyl]acetamide
2-Amino-9-(4-fluorophenyl)-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b]dipyridine-3-carbonitrile
2-[[[5-Methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole
5-Carboxy-2-deoxyuridine 5-monophosphate
C10H13N2O10P (352.03078080000006)
A nucleoside monophosphate analogue that is 2-deoxyuridine-5-monophosphate in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group.
5-(2,4-dichlorophenyl)-N-(4-methyl-2-thiazolyl)-2-furancarboxamide
C15H10Cl2N2O2S (351.98400200000003)
2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide
C15H13ClN2O4S (352.0284528000001)
2-[[(4-Ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole
2-(2,6-Dichlorophenyl)-5-methyl-3-(3-pyridylmethyl)thiazolidin-4-one
[4-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulate
C15H12O8S (352.02528720000004)
N-(4-fluorophenyl)-7-methoxy-2-thieno[2,3-b]quinolinecarboxamide
2-(2,3-dihydro-1H-inden-5-ylamino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Tetrahydrofuran-2-ylmethyl 2-[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]propanoate
4-(4-deoxy-D-gluc-4-enosyluronic acid)-D-galacturonic acid
4-(4-deoxy-beta-D-gluc-4-enosyluronic acid)-D-galacturonic acid
2-(4-Chlorophenyl)sulfonyl-2-(phenylhydrazono)acetohydrazide
C14H13ClN4O3S (352.03968580000003)
6-[[1-[(4-Fluorophenyl)methyl]-2-pyrrolyl]methylidene]-5-imino-7-thiazolo[3,2-a]pyrimidinone
ethyl 2-[(5Z)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
C14H12N2O7S (352.03652020000004)
(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl) hydrogen sulate
C15H12O8S (352.02528720000004)
Ethyl 3-acetyl-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4,5-dihydropyrimidine-5-carboxylate
C16H17ClN2O3S (352.06483620000006)
[4-[(E)-3-oxo-3-(2,4,6-trihydroxyphenyl)prop-1-enyl]phenyl] hydrogen sulfate
C15H12O8S (352.02528720000004)
3,4,5-Trihydroxy-6-[(1-oxoisochromen-3-yl)methoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-(6-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
[3,5-dihydroxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl] hydrogen sulfite
Arbutin 6-phosphate
C12H17O10P (352.05593120000003)
A beta-D-glucoside compound having a phosphate group at the 6-position and a 4-hydroxyphenyl substituent at the 1-position.
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
C20H16O4S (352.07692560000004)
5-amino-6-(5-phospho-D-ribosylamino)uracil(2-)
The dianion resulting from the removal of two protons from the phosphate group of 5-amino-6-(5-phospho-D-ribosylamino)uracil.
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid
(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate(3-)
Trianion of (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate arising from deprotonation of the three diphosphate OH groups.
(7,8-dihydropterin-6-yl)methyl diphosphate(3-)
An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of (7,8-dihydropterin-6-yl)methyl diphosphate.
4-methylumbelliferone beta-D-glucuronide
A beta-D-glucosiduronic acid having a 4-methylumbelliferyl substituent at the anomeric position.
5,7,4'-Trihydroxyflavanone 7-sulfate
C15H12O8S (352.02528720000004)
7-chloro-2',5,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
methyl (2r,3s)-3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2h-thieno[2,3-b]chromene-3-carboxylate
6,7,16,17-tetrahydroxy-3,20-dioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosa-1(13),2(10),4,6,8,14,16,18-octaene-11,12-dione
6-hydroxy-7-methoxy-3-[(2-oxochromen-7-yl)oxy]chromen-2-one
(3r,4r,5r,6r,10s)-4,6-dihydroxy-13-oxo-9-thia-11,15,20λ⁵-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaen-20-ylium-15-id-20-yl
5-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-11,12-dihydroxy-4,8-dioxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5,10,12-pentaen-3-one
2-(3-bromo-4-chloro-4-methylcyclohexyl)-6-methylhept-6-ene-2,5-diol
7-hydroxy-6-methoxy-4-[(2-oxochromen-7-yl)oxy]chromen-2-one
12alpha-hydroxydolineone
{"Ingredient_id": "HBIN000706","Ingredient_name": "12alpha-hydroxydolineone","Alias": "12\u03b1-hydroxydolineone","Ingredient_formula": "C19H12O7","Ingredient_Smile": "C1C2C(C3=CC4=C(C=C3O1)OCO4)(C(=O)C5=C(O2)C=C6C(=C5)C=CO6)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31186;10058","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,8-Dihydroxy-7-(4-hydroxy-5-methyl-coumarin-3)-coumarin
{"Ingredient_id": "HBIN011343","Ingredient_name": "5,8-Dihydroxy-7-(4-hydroxy-5-methyl-coumarin-3)-coumarin","Alias": "5,8-dihydroxy-7-(4-hydroxy-5-methyl-coumarin-3)-coumarin","Ingredient_formula": "C19H12O7","Ingredient_Smile": "C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)CO)O","Ingredient_weight": "352.29","OB_score": "61.84861803","CAS_id": "125124-67-6","SymMap_id": "SMIT00886","TCMID_id": "5917","TCMSP_id": "MOL003199","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7α,14β-dihydroxykaur-16-en-15-one
{"Ingredient_id": "HBIN013027","Ingredient_name": "7\u03b1,14\u03b2-dihydroxykaur-16-en-15-one","Alias": "NA","Ingredient_formula": "C19H12O7","Ingredient_Smile": "CC1=C2C(=CC=C1)OC(=O)C(=C2O)C3=CC(=C4C=CC(=O)OC4=C3O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5938","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,3,8,10,11-pentahydroxy-6-methyltetracene-5,12-dione
4-[(2s)-3-chloro-2-hydroxy-3-methylbutoxy]-9-methoxyfuro[3,2-g]chromen-7-one
2-chloro-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
(1r,13r)-1-hydroxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
4-(3-chloro-2-hydroxy-3-methylbutoxy)-9-methoxyfuro[3,2-g]chromen-7-one
(6'r)-7-chloro-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
{5-hydroxy-8-methoxy-2-methyl-4-oxobenzo[h]chromen-10-yl}oxidanesulfonic acid
C15H12O8S (352.02528720000004)
methyl 3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2h-thieno[2,3-b]chromene-3-carboxylate
{7-hydroxy-9-methoxy-1-methyl-6-oxobenzo[c]chromen-3-yl}oxidanesulfonic acid
C15H12O8S (352.02528720000004)
5,6,7,8,9,10-hexahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-1,4-dione
8-chloro-5-hydroxy-2,3-dihydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-4-one
C20H13ClO4 (352.05023280000006)
[(3as,4r,9r,10as)-10,10-dihydroxy-4-(hydroxymethyl)-2,6-diimino-hexahydro-1h-pyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
6-(4-bromo-3-chloro-4-methylcyclohexyl)-2-methylhept-3-ene-2,6-diol
[(3as,4r,9s,10as)-10,10-dihydroxy-4-(hydroxymethyl)-2,6-diimino-hexahydro-1h-pyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
(11r,12s,13s,14s)-4,11,12,13,14-pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-triene-2,9-dione
(1r,10s,11s,12r,13r,14r)-4,11,12,13,14-pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-triene-2,9-dione
(5-hydroxy-6-{1-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]ethyl}-4-oxopyran-2-yl)methyl acetate
[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxidanesulfonic acid
C12H16O10S (352.04641560000005)
(1r,13s)-1-hydroxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
(2r,5r)-2-[(1s,3s,4s)-3-bromo-4-chloro-4-methylcyclohexyl]-6-methylhept-6-ene-2,5-diol
3-chloro-3-[5-hydroxy-3-(2-methoxy-2-oxoethyl)-7-methyl-4-oxochromen-2-yl]prop-2-enoic acid
(1r,3r,4s,5r)-3-{[(2z)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
(1s,13r)-1-hydroxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
4,11,12,13,14-pentahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7-triene-2,9-dione
(3e,6r)-6-[(1r,3r,4r)-4-bromo-3-chloro-4-methylcyclohexyl]-2-methylhept-3-ene-2,6-diol
(6'r)-7-chloro-2',5,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
[(3as,4r,10as)-10,10-dihydroxy-4-(hydroxymethyl)-2,6-diimino-hexahydro-1h-pyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
(2s,6's)-7-chloro-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
(2e)-3-chloro-3-[5-hydroxy-3-(2-methoxy-2-oxoethyl)-7-methyl-4-oxochromen-2-yl]prop-2-enoic acid
[(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxidanesulfonic acid
C12H16O10S (352.04641560000005)
(2z)-3-chloro-3-[5-hydroxy-3-(2-methoxy-2-oxoethyl)-7-methyl-4-oxochromen-2-yl]prop-2-enoic acid
2,5-dihydroxy-7-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}naphthalene-1,4-dione
(8-hydroxy-6-methoxy-1-methyl-9-oxoxanthen-3-yl)oxidanesulfonic acid
C15H12O8S (352.02528720000004)