Exact Mass: 244.1311
Exact Mass Matches: 244.1311
Found 500 metabolites which its exact mass value is equals to given mass value 244.1311,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Etomidate
Etomidate is only found in individuals that have used or taken this drug. It is an midazole derivative anesthetic and hypnotic with little effect on blood gases, ventilation, or the cardiovascular system. It has been proposed as an induction anesthetic. [PubChem]Etomidate binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Cyclo(Phe-Pro)
Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3]. Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3].
3,3'-Dimethoxybenzidine
CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4566; ORIGINAL_PRECURSOR_SCAN_NO 4562 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4500; ORIGINAL_PRECURSOR_SCAN_NO 4496 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4452; ORIGINAL_PRECURSOR_SCAN_NO 4448 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4493; ORIGINAL_PRECURSOR_SCAN_NO 4488 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4505; ORIGINAL_PRECURSOR_SCAN_NO 4500 CONFIDENCE standard compound; INTERNAL_ID 558; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4496; ORIGINAL_PRECURSOR_SCAN_NO 4493 CONFIDENCE standard compound; INTERNAL_ID 4140 CONFIDENCE standard compound; INTERNAL_ID 2427
Hydroxyprolyl-Leucine
Hydroxyprolyl-Leucine is a dipeptide composed of hydroxyproline and leucine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hydroxyprolyl-Isoleucine
Hydroxyprolyl-Isoleucine is a dipeptide composed of hydroxyproline and isoleucine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Isoleucylhydroxyproline
Isoleucylhydroxyproline is a dipeptide composed of isoleucine and hydroxyproline. 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.
Leucylhydroxyproline
Leucylhydroxyproline is a dipeptide composed of leucine and hydroxyproline. 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.
Polyethylene, oxidized
Polyethylene, oxidized is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
(2R,4S)-1-Tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
Linderoxide
Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Isolinderoxide
2-Fluoro-6-{[3-(1H-imidazol-1-yl)propyl]amino}benzonitrile
2,4-Diamino-2,3,4,6-tetradeoxy-arabino-hexose,9CI,8CI-Me glycoside, 2,4-di-N-Ac
14-acetoxy-tetradeca-2t,4t,8t,10t-tetraen-6-yne|Ac-4,6,10,12-Tetradecatetraen-8-yn-2-ol,|Tetradecatetra-4,6,10,12-en-8-in-1-ol-acetat
pandangolide 1
A hexaketide lactone isolated from the sponge-associated fungus Cladosporium sp. It is a diastereoisomer of pandangolide 1a.
Me ether-(2R*,5S*,1E,3E)-form-Tetrahydro-5-(1,3-undecadiene-5,7-diynyl)-2-furanol,
6alpha-Furanoeremophilan-15, 6-olide|Furanoermophilan-14, 6-olide
(3S*,4R*,5R*)-3-hydroxymethyl-4-(1-acetoxyisopropyl)-5-isopropenyl-1,2-dioxolane
4alpha-(3-methyl-4-formyloxy-heptyl)-3alpha-methyl-2-oxetanone
2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid ethyl ester
(5beta,8alpha,9alpha,10beta)-5,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-oxecin-2-one|stagonolide B
furanoeremophil-3-en-15,6alpha-olide|furoeremophil-3-en-14,6alpha-olide|fuuranoeremophil-3-en-14,6alpha-olide
methyl (E)-3-(2,2-dimethylchromen-6-yl)prop-2-enoate
7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one
7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid
Cyclo(Pro-Phe)
Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3]. Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3].
C14H16N2O2_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)
Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)), a Vibrio vulnificus quorum-sensing molecule, inhibits retinoic acid-inducible gene-I (RIG-I) polyubiquitination, through its specific interaction with RIG-I, to blunt IRF-3 activation and type-I IFN production. Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)) enhances susceptibility to hepatitis C virus (HCV), as well as Sendai and influenza viruses[1].
Etomidate
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
(3R,8aS)-Cyclo(phenylalanylprolyl)
Origin: Microbe; SubCategory_DNP: Peptides, Cyclic peptides, Piperazines
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based: Match]
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based on: CCMSLIB00000848611]
(5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one_major
6E,8E,12E,14E-Hexadecatetraen-10-ynoic acid
6-Methoxy-4a-methyl-3,4,4a,9,10,10a-hexahydro-2(1H)-phenanthrenone
14-METHOXY-4,4-BISNOR-8,11,13-PODOCARPATRIEN-3-ONE
5-Hydroxy-2-(5-methyl-1-oxo-4-hexenyl)benzofuran
(6E)-3,8,9-Trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one
3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
3-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)propionic acid
(S)-1-N-Boc-piperazine-3-carboxylicacid methylester
(2E,4E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpenta-2,4-dienal
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)acetic acid
METHYL (2R,4R)-4-AMINOPYRROLIDINE-2-CARBOXYLATE, N1-BOC PROTECTED
trans-6-Chloro-1-hexen-1-ylboronic acid pinacol ester
2-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid
5-METHYL-2-(4-METHYLPHENYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-2-YL)ACETIC ACID
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
(1S,2S,5R)-1-ALLYL-2-ISOPROPYL-5-METHYLCYCLOHEXANOL
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
Ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
tert-butyl 3-(Methylsulfanyl)-2,5,6,7-tetrahydro-1H-1,4-diazepin
6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
(4-Isobutylmorpholin-2-yl)methanamine dihydrochloride
(4R,5R)-4,5-Di(dimethylaminocarbonyl)-2,2-dimethyldioxolane, 99+\\%
(2S,4S)-N-Boc-4-hydroxypiperidine-2-carboxylic acid benzylamine salt
2-(benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Ethyl 1,3,4,5-tetrahydro-2H-pyrido[4,3,b]indole-2-carboxylate
3-[2-OXO-2-PHENYL-ETH-(Z)-YLIDENE]-[1,4]DIAZOCAN-2-ONE
(E)-1-(1-(FURAN-2-YL)PROP-1-EN-2-YL)CYCLOPROPANAMINE
Veliparib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
2-Benzyl-5-Methyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
Methyl (2R,4R)-1-Boc-4-aminopyrrolidine-2-carboxylate
4,4-Difluorocyclohexene-1-boronic acid pinacol ester
Imidazo[1,2-a]pyridine-7-boronic acid pinacol ester
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole
(2S,4R)-4-(aminomethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
1-(DIFLUOROMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
1H-Pyrrolo[3,2-B]pyridine-6-boronic acid pinacol ester
2-CYCLOPENTYL-5-HYDROXY-6,7-DIMETHYL-2,3-DIHYDRO-1H-INDEN-1-ONE
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
4-PIPERIDINECARBOXAMIDE, 1-(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)-
1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
(1,2-DIMETHYL-1H-BENZOIMIDAZOL-5-YL)-(4-ETHOXY-BENZYL)-AMINE
2,7-Diazaspiro[4.4]nonane-1,3-dione, 2-(phenylmethyl)-
ethyl (Z)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate
Propanedioic acid,2-(2,2-dimethyl-1-oxopropyl)-, 1,3-diethyl ester
3-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-4-METHOXY-BENZALDEHYDE
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzonitrile
(2S,4S)-4-(aminomethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
(2R,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
c-(4-butyl-morpholin-2-yl)-methylamine dihydrochloride
1-(1-PHENYL-1,3,4,9-TETRAHYDRO-BETA-CARBOLIN-2-YL)-ETHANONE
6-benzyl-5,7-dioxo-octahydropyrrolo[3,4-b] pyridine
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
6-DEOXY-1,2:3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTOPYRANOSIDE
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]furan
1-benzyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
1-tert-Butyl 4-methyl piperazine-1,4-dicarboxylate
(3aR,8aS,9aR)-5,8a-Dimethyl-3-methylene-3a,8a,9,9a-tetrahydronaph tho[2,3-b]furan-2,6(3H,4H)-dione
6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
3-(TERT-BUTOXYCARBONYLAMINO)PIPERIDINE-3-CARBOXYLIC ACID
2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate
DIENDO-3-BENZOYLBICYCLO[2.2.1!HEPTANE-2-CARBOXYLIC ACID
4-Methyl-piperazine-1,2-dicarboxylic acid 1-tert-butyl ester
4-Methyl-1-(phenylmethyl)-1H-imidazole-2-carboxylic acid ethyl ester
3-Benzylidene-2-oxo-cyclopentanecarboxylic acid ethyl ester
2,3,6,7-Tetrahydro-9-[(E)-2-nitrovinyl]-1H,5H-benzo[ij]quinolizine
2-[(1R,2R)-1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol
(2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
(R)-1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
(2S,4R)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE-2-CARBOXYLATE
(S)-BENZYL 2-(CYANOMETHYL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl 3-(thiocarbamoyl)piperidine-1-carboxylate
1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
7-Methyl-5-(1-methylethyl)-2H-naphtho(1,8-bc)furan-3,4-diol
2-(2-methyl-2-pyrrolidinyl)-1H-benzimidazole-4-carboxamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester
(alphaE)-2,2-Dimethyl-2H-1-benzopyran-6-acrylic acid methyl ester
Ostol
D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D007155 - Immunologic Factors Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells. Osthole (Osthol) is a natural antihistamine alternative. Osthole may be a potential inhibitor of histamine H1 receptor activity. Osthole also suppresses the secretion of HBV in cells.
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-
Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)), a Vibrio vulnificus quorum-sensing molecule, inhibits retinoic acid-inducible gene-I (RIG-I) polyubiquitination, through its specific interaction with RIG-I, to blunt IRF-3 activation and type-I IFN production. Cyclo(Phe-Pro) (Cyclo(phenylalanylprolyl)) enhances susceptibility to hepatitis C virus (HCV), as well as Sendai and influenza viruses[1].
3,4,9-Trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
2-(3-Methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)cyclohexa-2,5-diene-1,4-dione
A natural product found in Sporochnus comosus and Perithalia capillaris.
8-Hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid
CYCLO(-PHE-PRO)
Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3]. Cyclo(L-Phe-L-Pro), isolated from Pseudomonas fluorescens and Pseudomonas alcaligenes cell-free culture supernatants is an antifungal cyclic dipeptide[1]. Cyclo(L-Phe-L-Pro) inhibits IFN-β production by interfering with retinoic-acid-inducible gene-I (RIG-I) activation[2]. Cyclo(L-Phe-L-Pro) exhibits free-radical scavenging activity with the IC50 of 24 μM in the DPPH assay[3].
3-Oxo-7-methyloctanoic acid 2-oxo-3-hydroxypropyl ester
Imiloxan
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Pandangolide 1a
A hexaketide lactone isolated from the sponge-associated fungus Cladosporium sp. It is a diastereoisomer of pandangolide 1.
1-Hydroxy-3,9-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
3,11-Dimethyl-4,8,9,12-tetrahydro-6H-4,7-(metheno)furo[3,2-c]oxacycloundecin-6-one
(3S)-1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
4-amino-5-[(2R)-2-borono-1-pyrrolidinyl]-5-oxopentanoic acid
5,5-Dimethyl-2-(pyridin-3-yliminomethyl)cyclohexane-1,3-dione
2-methyl-5-[2-(4-methylphenyl)-2-oxoethyl]-2,3-dihydro-1H-pyrazin-6-one
Methyl 2-cyano-3-methyl-5-phenylpyrrolidine-4-carboxylate ((2S)2,3-cis-3,4-trans-4,5-cis)
2-(4-Methylphenyl)-5-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione
tyrvalin
A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and (4-hydroxyphenyl)methyl groups at positions 3 and 6, respectively. It is a natural product found in Staphylococcus aureus.
(3ar,4ar,7ar,9as)-3,5,8-trimethylidene-hexahydro-3ah-azuleno[6,5-b]furan-2,6-dione
(3s)-9-hydroxy-3-(methoxycarbonyl)-2-methylidenenonanoic acid
(3r,3ar,9as)-3,5,8-trimethyl-3h,3ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
(1s)-7'-hydroxy-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-2-en-4-one
(7ar,8s)-3,5,8-trimethyl-6h,7h,7ah,8h-azuleno[6,5-b]furan-4,9-dione
(1as,7s,7as)-7-hydroxy-1a-(3-methylbut-2-en-1-yl)-7h,7ah-naphtho[2,3-b]oxiren-2-one
(2r)-5-[(3-methylbut-2-en-1-yl)oxy]-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran
3,6,9-trimethyl-5h,6h,6ah,7h-azuleno[4,5-b]furan-4,8-dione
(3ar,8as,9as)-5,8a-dimethyl-3-methylidene-3ah,4h,9h,9ah-naphtho[2,3-b]furan-2,6-dione
2-[(3s,4s,5r)-3-(hydroxymethyl)-5-(prop-1-en-2-yl)-1,2-dioxolan-4-yl]propan-2-yl acetate
7-methoxy-3,5-dimethyl-6-(pent-3-en-1-yl)-1-benzofuran
6-[(4-hydroxyphenyl)methyl]-3-isopropyl-1h-pyrazin-2-one
(3ar,4as,9ar)-5,8-dimethyl-3-methylidene-3ah,4h,4ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
(2r)-2-methyl-2-(4-methylpent-3-en-1-yl)chromen-6-ol
(6as,10ar)-6,6,9-trimethyl-6ah,7h,8h,10ah-benzo[c]isochromen-2-ol
2,7-dihydroxy-4-isopropyl-6-methylnaphthalene-1-carbaldehyde
6-(2-hydroxy-4-phenylbut-3-en-1-yl)-5,6-dihydropyran-2-one
5-methyl-4-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
3,5a,9-trimethyl-3h,3ah,9bh-naphtho[1,2-b]furan-2,8-dione
1-hydroxy-5,5-dimethyl-1-phenylhepta-1,6-diene-3,4-dione
7-(2-phenylethenyl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
1-(furan-3-yl)-5,8a-dimethyl-7,8-dihydro-1h-isochromen-3-one
(6s)-6-[(2r,3e)-2-hydroxy-4-phenylbut-3-en-1-yl]-5,6-dihydropyran-2-one
(3r,3ar,9ar,9br)-3,6,9-trimethyl-3h,3ah,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
methyl 2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylate
(1s,9s,10r,12s)-4-(methoxymethyl)-9-methyl-13-methylidene-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]trideca-3(7),4-diene
3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
(3e)-4-[(1s,2r,4s)-1,2,4,6-tetrahydroxy-2,6-dimethylcyclohexyl]but-3-en-2-one
(3s,5s)-5-{hydroxy[(2s,3s)-3-[(1r)-1-hydroxybutyl]oxiran-2-yl]methyl}-3-methyloxolan-2-one
2,3,3-trimethyl-2h,3ah,9bh-naphtho[1,2-b]furan-4,5-dione
(5s,8r)-8-methoxy-3,4,5-trimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan
methyl 8-isopropyl-5-methyl-3,4-dihydronaphthalene-2-carboxylate
7'-hydroxy-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-2-en-4-one
7-[(acetyloxy)methyl]-3-hydroxy-3-methyloct-6-enoic acid
1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)propane
{"Ingredient_id": "HBIN000655","Ingredient_name": "1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)propane","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "C1=CC(=CC=C1CCCC2=C(C=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6087","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
14-oxo-1(10),3,11(13)-guaiatrien-12,6-olide
{"Ingredient_id": "HBIN001543","Ingredient_name": "14-oxo-1(10),3,11(13)-guaiatrien-12,6-olide","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "NA","Ingredient_weight": "244.29","OB_score": "NA","CAS_id": "170591-58-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9312","PubChem_id": "NA","DrugBank_id": "NA"}
15-oxo-3,10(14),11(13)-guaiatrien-12,6-olide
{"Ingredient_id": "HBIN001715","Ingredient_name": "15-oxo-3,10(14),11(13)-guaiatrien-12,6-olide","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "NA","Ingredient_weight": "244.29","OB_score": "NA","CAS_id": "67667-79-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9294","PubChem_id": "NA","DrugBank_id": "NA"}
2-oxo-eremophil-1(10),7(11),8(9)-trien-12,8-olide
{"Ingredient_id": "HBIN006282","Ingredient_name": "2-oxo-eremophil-1(10),7(11),8(9)-trien-12,8-olide","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16319","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(4'-hydroxybenzyloxy)benzyl nethyl ether
{"Ingredient_id": "HBIN009960","Ingredient_name": "4-(4'-hydroxybenzyloxy)benzyl nethyl ether","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "COCC1=CC=C(C=C1)OCC2=CC=C(C=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31159","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-[[4-(methoxymethyl)phenoxy]methyl]phenol
{"Ingredient_id": "HBIN009964","Ingredient_name": "4-[[4-(methoxymethyl)phenoxy]methyl]phenol","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "NA","Ingredient_weight": "244.29","OB_score": "NA","CAS_id": "77182-71-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7871","PubChem_id": "NA","DrugBank_id": "NA"}
(5α,8α)-2-oxo-1(10),3,7(11)-guaiatrien-12,8-olide
{"Ingredient_id": "HBIN011389","Ingredient_name": "(5\u03b1,8\u03b1)-2-oxo-1(10),3,7(11)-guaiatrien-12,8-olide","Alias": "NA","Ingredient_formula": "C15H16O3","Ingredient_Smile": "CC1=C2C(CC3=C(C(=O)OC3C1)C)C(=CC2=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16329","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
