Exact Mass: 238.1058862
Exact Mass Matches: 238.1058862
Found 500 metabolites which its exact mass value is equals to given mass value 238.1058862,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Felbamate
Felbamate is an anticonvulsant drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. It has a weak inhibitory effect on GABA receptor binding sites. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics Felbamate (W-554) is a potent nonsedative anticonvulsant whose clinical effect may be related to the inhibition of N-methyl-D-aspartate (NMDA).
1,5-Dioxo-7a-methyloctahydro-1H-indene-4-propanoic acid
4'-Methoxychalcone
4-Methoxychalcone is found in citrus. 4-Methoxychalcone is reported to occur in Citrus limon (lemon) (unsubstantiated Reported to occur in Citrus limon (lemon) (unsubstantiated). 4-Methoxychalcone is found in lemon and citrus. 4-Methoxychalcone is a member of chalcones. 4'-Methoxychalcone regulates adipocyte differentiation through PPARγ activation. 4'-Methoxychalcone modulates the expression and secretion of various adipokines in adipose tissue that are involved in insulin sensitivity[1].
Glycyltyrosine
Glycyltyrosine is a dipeptide composed of glycine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Gly-Tyr is a dipeptide composed of glycine and L-tyrosine joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a glycine and a L-tyrosine. A dipeptide composed of glycine and L-tyrosine joined by a peptide linkage. Glycyl-L-tyrosine is a dipeptide containing glycine and L-tyrosine[1].
Benzyl cinnamate
Benzyl cinnamate is found in cumin. Benzyl cinnamate is isolated from various plant species. Benzyl cinnamate is present in Sumatra and Penang benzoin, Peru and tolu balsams, main constituent of copaiba balsam. Benzyl cinnamate is a flavouring agent. Benzyl cinnamate is isolated from various plant spp.. It is found in Sumatra and Penang benzoin, Peru and tolu balsams, main constituent of copaiba balsam. Can be used as a flavouring agent. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1]. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1].
15(R)-hydroperoxy-EPE
15(R)-hydroperoxy-EPE, also known as 4-(2-HYDROXYETHYL)-1-piperazine ethanesulfonate or Hepes, is classified as a member of the N-alkylpiperazines. N-alkylpiperazines are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group. 15(R)-hydroperoxy-EPE is considered to be soluble (in water) and acidic COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS D019995 - Laboratory Chemicals > D002021 - Buffers
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside is found in herbs and spices. (x)-1,2-Propanediol 1-O-b-D-glucopyranoside is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). (x)-1,2-Propanediol 1-O-b-D-glucopyranoside is found in herbs and spices.
Cinnamyl benzoate
Cinnamyl benzoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene
1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is found in herbs and spices. 1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is isolated from parsley oil and other Petroselinum species. Isolated from parsley oil and other Petroselinum subspecies 1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is found in herbs and spices and parsley.
Tyrosylglycine
Tyrosylglycine is a dipeptide composed of asparagine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Tyrosylglycine has been identified in the human placenta (PMID: 32033212).
gamma-Glutaminyl-4-hydroxybenzene
gamma-Glutaminyl-4-hydroxybenzene is found in mushrooms. gamma-Glutaminyl-4-hydroxybenzene is isolated from the gill tissue of the edible mushrooms Agaricus bisporus (button mushroom) and Agaricus hortensi
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is found in tea. 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is a constituent of the essential oil Leptospermum scoparium (red tea). Constituent of the essential oil Leptospermum scoparium (red tea). 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is found in tea.
10,11-Dihydrocarbamazepine
Proxyphylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1]. Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1].
[(2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyhexan-2-yl] 2-hydroxypropanoate
ObtucarbamateA
Obtucarbamate A isolated from Disporum cantoniense has antitussive activity[1].
Sporothriolide
A furofuran that is (3aR,6aR)-hexahydrofuro[3,4-b]furan substituted by an oxo group at positions 2 and 4, methylene group at position 3 and by an hexyl group at position 6. It is a metabolite isolated from several species of fungi.
1-(3-Methyl-2-oxo-3-pyrrolinyl)-4-methyl-5-oxo-2-pyrrolidinecarboxylic acid
6.6-Dimethyl-5-methoxy-3-hydroxy-2-isobutyryl-cyclohexadien-(2.4)-on-(1) (Agglomeron)|Agglomeron|Agglomerone
2-(3-Methyl-3-hydroxy-1-oxobutyl)-4-(1-hydroxyethyl)phenol
Me ether,di-Me ester-Hydroxyphenylpropanedioic acid
10-hydroxy-8,9-dioxyisopropylidene-thymol|9-hydroxy-8,10-isopropylendioxythymol
5-Hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-1(3H)-isobenzofuranone
(E)-2-methoxy-4-(3,4-dimethoxyphenyl)but-3-en-1-ol
(R)-4-methoxy-7-(2-oxopropyl)-7,8-dihydropyrano[4,3-b]pyran-2(5H)-one|pyrenocine K
(+)-(7S,8R)-4-hydroxy-3,7-dimethoxy-1,2,3,4,5,6,7-heptanorlign-8-one
decyl hydrogen sulfate
An alkyl sulfate that is the sulfuric ester of decanol.
(3S)-3-((R)-1-hydroxyethyl)-6,8-dihydroxy-7-methyl-3,4-dihydroisocoumarin
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-1-pentanone
3-Hydroxy-4-methoxy-1-(4-hydroxy-1,3-dioxo-2-methyl-butyl)-benzol|3-Hydroxy-4-methoxy-1-<4-hydroxy-1,3-dioxo-2-methyl-butyl>-benzol
4,6-dehydro-1,2,4,5-tetrahydro-2,5-dioxopilocarpin
1-[(3S,3aR,6S,7aS)-1,3,3a,6,7,7a-hexahydro-3a,6-dihydroxy-3,7a-dimethyl-3,6-methanobenzofuran-5-yl]ethanone|cucubaldiol
(3R*,4R*)-3,4-dihydro-4,8-dihydroxy-3-(hydroxymethyl)-6-methoxynaphthalen-1(2H)-one|balticol B
1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methyl-1-propanone
trans-6-(1-hydroxyethyl)-3,4-dihydroxy-2,2-dimethylchromane
2,6-Dimethyl-3-O-methyl-4-isobutyrylphloroglucinol
Benzyl_cinnamate
Benzyl cinnamate is the cinnamate ester derived from cinnamic acid and benzyl alcohol. Occuring in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, it is used in heavy oriental perfumes, as a fixative and as a flavouring agent. It has a role as a flavouring agent, a fragrance, a fixative, an antigen and an epitope. Benzyl cinnamate is a natural product found in Friesodielsia velutina and Isotachis japonica with data available. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1]. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1].
felbamate
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics Felbamate (W-554) is a potent nonsedative anticonvulsant whose clinical effect may be related to the inhibition of N-methyl-D-aspartate (NMDA).
1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one
(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
OCP_239.0946_17.0
C12H15ClN2O (238.08728499999998)
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1301
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one
HEPES
D019995 - Laboratory Chemicals > D002021 - Buffers MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; JKMHFZQWWAIEOD-UHFFFAOYSA-N_STSL_0147_HEPES_2000fmol_180419_S2_LC02_MS02_32; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
Tyr-Gly
A dipeptide formed from L-tyrosine and glycine residues.
2,2,4,4-tetramethyl-6-propanoylcyclohexane-1,3,5-trione
Cinnamein
Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1]. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1].
1-(3-Ethyl-2,4-dihydroxy-6-methoxyphenyl)-1-butanone
2-(2-FLUOROBENZYL)ACETOACETIC ACID ETHYL ESTER
C13H15FO3 (238.10051719999998)
5-METHYL-4-PROPOXY-1,3-PHENYLENEBISBORONIC ACID
C10H16B2O5 (238.11837859999997)
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxirane
C14H19ClO (238.11243539999998)
tert-butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate
C10H19ClO4 (238.09718039999998)
2-CHLORO-1-(4-HEXYL-PHENYL)-ETHANONE
C14H19ClO (238.11243539999998)
1-(4-tert-butylphenyl)-4-chlorobutan-1-one
C14H19ClO (238.11243539999998)
1-(4-FLUORO-PHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLICACID
(2-[(TERT-BUTOXYCARBONYL)AMINO]PYRIDIN-3-YL)BORONIC ACID
5-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
1-(4-PIPERIDYL)-1H-1,2,3-BENZOTRIAZOLE HYDROCHLORIDE
C11H15ClN4 (238.09851799999998)
(9,9-Dimethyl-9H-fluoren-2-yl)boronic acid
C15H15BO2 (238.11650400000002)
4-(PIPERIDIN-4-YLOXY)-BENZONITRILE HYDROCHLORIDE
C12H15ClN2O (238.08728499999998)
6-tert-butoxycarbonylamino-pyridine-2-carboxylic acid
1,8-DIOXO-1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]-PYRAZINE-6-CARBOXYLIC ACID
2-chloro-1-(4-phenylpiperazin-1-yl)ethanone
C12H15ClN2O (238.08728499999998)
6-METHOXY-1,2,3,4-TETRAHYDRO-9 H-PYRIDO[3,4-B]INDOLE HYDROCHLORIDE
C12H15ClN2O (238.08728499999998)
2-Phenylh-imidazo[1,2-a]pyridin-6-ylboronic acid
C13H11BN2O2 (238.09135360000002)
N-(4-chlorophenyl)piperidine-4-carboxamide
C12H15ClN2O (238.08728499999998)
2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PIPERIDINE-3-CARBOXYLIC ACID (4-CHLORO-PHENYL)-AMIDE
C12H15ClN2O (238.08728499999998)
Benzene, 1-(benzyloxy)-4-(2-propynyloxy)- (7CI,8CI)
3-([(DIETHYLAMINO)CARBONYL]OXY)-4-PYRIDINECARBOXYLIC ACID
Rolodine
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
2-Methyl-5-(6-methyl-benzooxazol-2-yl)-phenylamine
2-(PIPERIDIN-3-YL)BENZO[D]OXAZOLE
C12H15ClN2O (238.08728499999998)
1-(4-CHLORO-PHENYL)-2-PYRROLIDIN-1-YL-ETHYL]-METHYL-AMINE
C13H19ClN2 (238.12366839999999)
Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoate
2-(2-CHLOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
2,2-dimethylpropane-1,3-diyl cyclohex-4-ene-1,2-dicarboxylate
2-(4-chlorophenyl)-2-piperidin-1-ylethanamine
C13H19ClN2 (238.12366839999999)
4-Fluoro-3-hydroxyphenylboronic acid pinacol ester
C12H16BFO3 (238.11764680000002)
Acetonitrile,(p-aminophenyl)(p-methoxyphenyl)- (7CI,8CI)
(7S)-7-Amino-5,7-dihydro-5-methyl-6H-dibenz[b,d]azepin-6-one
1(2H)-Isoquinolinone, 2-(3-aminopropyl)-, hydrochloride (1:1)
C12H15ClN2O (238.08728499999998)
4-benzylpiperazine-1-carbonyl chloride
C12H15ClN2O (238.08728499999998)
3-chloro-4-(N-cyclohexyl-N-methylamino)aniline
C13H19ClN2 (238.12366839999999)
Piperidine, 1-[(2-chloro-3-pyridinyl)carbonyl]-3-methyl- (9CI)
C12H15ClN2O (238.08728499999998)
(4-((TERT-BUTOXYCARBONYL)AMINO)PYRIDIN-3-YL)BORONIC ACID
2-(2-PYRIMIDINYL)PROPANEDIOIC ACID 1,3-DIETHYL ESTER
1-(1-PHENYLCYCLOPROPYL)PIPERAZINE HYDROCHLORIDE
C13H19ClN2 (238.12366839999999)
3-(3,5-dimethoxy-phenyl)-3-oxo-propionic acid methyl ester
3-(2,3-dimethoxy-phenyl)-3-oxo-propionic acid methyl ester
[6-[(tert-Butoxycarbonyl)amino]pyridin-3-yl]boronic acid
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
(9,9-dimethyl-9H-fluoren-4-yl)boronic acid
C15H15BO2 (238.11650400000002)
(S)-(2-methoxyphenyl)((tetrahydro-2H-pyran-4-yl)oxy)methanol
7-cyclopropyl-2,7-diazaspiro[3.5]nonane (dihydrochloride)
ALPHA-METHYL-N-PHENYL-1H-BENZOTRIAZOLE-1-METHANAMINE
4-(5-ETHYL-2-METHOXY-PHENYL)-4-HYDROXY-BUTYRIC ACID
2-CHLORO-N-(4-PYRROLIDIN-1-YL-PHENYL)-ACETAMIDE
C12H15ClN2O (238.08728499999998)
6-(5,6-dimethyl-1,3-dihydrobenzoimidazol-2-ylidene)cyclohexa-2,4-dien-1-one
5-Fluoro-2-hydroxyphenylboronic acid, pinacol ester
C12H16BFO3 (238.11764680000002)
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
ISOPROPYL β-D-THIOGLUCOPYRANOSIDE
Spiro[3H-indole-3,4-piperidin]-2(1H)-one Hydrochloride
C12H15ClN2O (238.08728499999998)
(4-AMINO-PIPERIDIN-1-YL)-(4-CHLORO-PHENYL)-METHANONE
C12H15ClN2O (238.08728499999998)
1-(3-(4-chlorophenyl)propyl)piperazine
C13H19ClN2 (238.12366839999999)
2-(4-FLUOROBENZYL)ACETOACETICACIDETHYLESTER
C13H15FO3 (238.10051719999998)
4-(4-ETHOXY-3-METHYL-PHENYL)-4-HYDROXY-BUTYRIC ACID
Cicloprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Semaxanib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors
(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
1-(4-Chlorophenyl)piperazine, acetyl
C12H15ClN2O (238.08728499999998)
Benzeneacetic acid, 4-methoxy-, trimethylsilyl ester
Acetic acid, [p-(trimethylsiloxy)phenyl]-, methyl ester
Acetic acid, phenyl(trimethylsiloxy)-, methyl ester
Acetic acid, (m-methoxyphenyl)-, trimethylsilyl ester
1-(5-Methoxy-2-[(trimethylsilyl)oxy]phenyl)ethanone
Acetic acid, [m-(trimethylsiloxy)phenyl]-, methyl ester
3-(3-Hydroxy-7,8-dihydro-6H-cyclohepta[D]isoxazol-4-YL)-L-alanine
(2r)-3-{[(Benzylamino)carbonyl]amino}-2-Hydroxypropanoic Acid
4-(Acetylamino)-3-[(diaminomethyl)amino]benzoic acid
Proxyphylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1]. Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1].
hydrogen (1S)-1-[(2S)-2-amino-4-methylpentanamido]ethylphosphonate
C8H19N2O4P (238.10823839999998)
(2S)-2-amino-4-(2-amino-3-hydroxy-4-methylphenyl)-4-oxobutanoic acid
[(1S)-1-(L-Leucylamino)ethyl]phosphonic acid
C8H19N2O4P (238.10823839999998)
(2R)-2-amino-4-(2-amino-3-hydroxy-4-methylphenyl)-4-oxobutanoic acid
[(2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyhexan-2-yl] 2-hydroxypropanoate
5,7-dimethyl-N-phenyl-2-pyrazolo[1,5-a]pyrimidinamine
2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinamine
2-Chloro-1-(4-isopropylphenyl)-3-methyl-1-butanone
C14H19ClO (238.11243539999998)
3-Methoxy-6-methyl-5-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol
3-(4-Hydroxyphenyl)propionic acid, trimethylsilyl ester
9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid
A dioxo monocarboxylic acid that consists of hydrindane bearing two oxo substituents at positions 1 and 5, a methyl substituent at position 7a and a 2-carboxyethyl substituent at position 4 (3aS,4S,7aS-diastereomer).
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione
2-[4-(2-Hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tyr-Gly zwitterion
A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-tyrosylglycine; major species at pH 7.3.
3-hydroxy-2,7-bis(prop-1-en-1-yl)-hexahydrofuro[3,4-b]pyran-5-one
1-[(1s,3s,6s,7r)-1,7-dihydroxy-3,6-dimethyl-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-9-yl]ethanone
3-(1,2-dihydroxybut-3-en-1-yl)-4-(pent-1-en-1-yl)-5h-furan-2-one
2-hydroxy-3-methyl-6-[(2s,4s)-4-methyl-3-oxohexan-2-yl]pyran-4-one
(2r,3e)-4-(3,4-dimethoxyphenyl)-2-methoxybut-3-en-1-ol
(2r,3s)-3-(3,5-dihydroxy-2-methylphenyl)butan-2-yl acetate
3-[(1s,2s)-1,2-dihydroxybut-3-en-1-yl]-4-[(1e)-pent-1-en-1-yl]-5h-furan-2-one
6-ethyl-5-hydroxy-3-(methoxymethyl)-5,6,7,8-tetrahydrochromen-4-one
(2r,3s,4r,5s,6r)-2-[(1,3-dihydroxypropan-2-yl)oxy]-6-methyloxane-3,4,5-triol
(2s)-propane-1,2-diol 1-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN006823","Ingredient_name": "(2s)-propane-1,2-diol 1-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C9H18O7","Ingredient_Smile": "CC(COC1C(C(C(C(O1)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17897","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}