Exact Mass: 244.1457
Exact Mass Matches: 244.1457
Found 500 metabolites which its exact mass value is equals to given mass value 244.1457,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Anagyrine
Anagyrine is an alkaloid. Anagyrine is a natural product found in Daphniphyllum oldhamii, Ormosia fordiana, and other organisms with data available. Thermospine is a natural product found in Platycelyphium voense, Thermopsis mongolica, and other organisms with data available. Thermopsine is a quinolizidine alkaloid isolated from the fruits and pods and stem bark of Sophora velutina subsp. Thermopsine has antibacterial activity[1].
Sophoramine
Sophoramine is a naphthyridine derivative. Sophoramine is a natural product found in Sophora viciifolia, Sophora pachycarpa, and other organisms with data available.
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].
Rhombifoline
Rhombifoline is a natural product found in Plagiocarpus axillaris, Cristonia biloba, and other organisms with data available. Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1]. Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1].
Thermopsine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.155 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.144 Thermopsine is a quinolizidine alkaloid isolated from the fruits and pods and stem bark of Sophora velutina subsp. Thermopsine has antibacterial activity[1].
1,11-Undecanedicarboxylic acid
1,11-Undecanedicarboxylic acid, also known as 1,13-tridecanedioic acid or brassilic acid, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 1,11-Undecanedicarboxylic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Undecanedicarboxylic acid is an unusual odd-numbered dicarboxylic acid that appears in the urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome, as an additional marker of these peroxisomal disorders. (PMID: 2943344) [HMDB] Tridecanedioic acid is an endogenous metabolite.
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/]")
Menthyl ethylene glycol carbonate
Menthyl ethylene glycol carbonate is a physiological cooling agent used in foods. Strong mint flavorant used in chewing gu Physiol. cooling agent used in foods. Strong mint flavorant used in chewing gum
(±)-1,4-Nonanediol diacetate
(±)-1,4-Nonanediol diacetate is a flavouring ingredient. Flavouring ingredient
(1R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
(2R,4S)-1-Tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
Butanoyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
Linderoxide
Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Isolinderoxide
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
Megastigm-7-ene-3,5,6,9-tetraol
Megastigm-7-ene-3,5,6,9-tetraol is a natural product found in Cestrum parqui with data available.
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
(1R,2S,4S)-2-(1-Hydroxy-6-methylheptyl)-4-hydroxymethylbutanolide|Dihydro-5-(hydroxymethyl)-3-(1-hydroxy)-2(3H)-furanone
(3S*,4R*,5R*)-3-hydroxymethyl-4-(1-acetoxyisopropyl)-5-isopropenyl-1,2-dioxolane
4alpha-(3-methyl-4-formyloxy-heptyl)-3alpha-methyl-2-oxetanone
(5beta,8alpha,9alpha,10beta)-5,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-oxecin-2-one|stagonolide B
(1S,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.234 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.232
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid
C15H20N2O_2H-Pyrido[1,2-a]pyrazin-1(6H)-one, hexahydro-3-(phenylmethyl)-, (3S,9aS)
TRIDECANEDIOIC ACID
An alpha,omega-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11. Tridecanedioic acid is an endogenous metabolite.
(5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
Sophoramine
Origin: Plant; SubCategory_DNP: Alkaloids derived from lysine, Quinolizidine alkaloids, Sophora alkaloid
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based: Match]
8-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid [IIN-based on: CCMSLIB00000848611]
Brassylic acid
CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5003; ORIGINAL_PRECURSOR_SCAN_NO 5002 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5063; ORIGINAL_PRECURSOR_SCAN_NO 5062 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5052; ORIGINAL_PRECURSOR_SCAN_NO 5051 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5103; ORIGINAL_PRECURSOR_SCAN_NO 5099 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5016; ORIGINAL_PRECURSOR_SCAN_NO 5015 Tridecanedioic acid is an endogenous metabolite.
(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
(6E)-3,8,9-Trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one
2-(3-CYCLOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE
2-ETHYL-5-METHYLPYRAZINE
2-ethyl-5-methylpyrazine, 9ci, 8ci, also known as 2,5-methylethylpyrazine or fema 3154, is a member of the class of compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. 2-ethyl-5-methylpyrazine, 9ci, 8ci is soluble (in water) and a moderately basic compound (based on its pKa). 2-ethyl-5-methylpyrazine, 9ci, 8ci is a sweet, bean, and coffee tasting compound and can be found in a number of food items such as cereals and cereal products, fenugreek, coffee and coffee products, and tea, which makes 2-ethyl-5-methylpyrazine, 9ci, 8ci a potential biomarker for the consumption of these food products.
(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
3-Benzyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
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
(4R,5R)-4,5-Di(dimethylaminocarbonyl)-2,2-dimethyldioxolane, 99+\\%
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
2,3-Dihydro-1H-inden-5-boronic acid, pinacol ester
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
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
4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane
(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
1,4-Dimethyl-3-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrazol-5-ol
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
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
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
4-Methyl-piperazine-1,2-dicarboxylic acid 1-tert-butyl ester
4-Methyl-1-(phenylmethyl)-1H-imidazole-2-carboxylic acid ethyl ester
N-[2-(1H-Indol-3-yl)ethyl]-2,2-dimethylpropanamide
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
1-[trans-4-(5-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine(SALTDATA: FREE)
(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
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
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].
(3R,4R)-4-(hydroxymethyl)-3-[(1R)-1-hydroxyoctyl]oxolan-2-one
Dihydro-4alpha-(hydroxymethyl)-3beta-[(R)-6-methyl-1-hydroxyheptyl]furan-2(3H)-one
3-Oxo-7-methyloctanoic acid 2-oxo-3-hydroxypropyl ester
[3-Carboxy-2-(3-methylbut-2-enoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(2-methylidenebutanoyloxy)propyl]-trimethylazanium
(3-Carboxy-2-pent-4-enoyloxypropyl)-trimethylazanium
[3-carboxy-2-[(E)-pent-2-enoyl]oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(E)-2-methylbut-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-pent-3-enoyl]oxypropyl]-trimethylazanium
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.
(2S)-1-[(2S)-2,6-bis(azaniumyl)hexanoyl]pyrrolidine-2-carboxylate
(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
5-(2-Amino-4-methylphenyl)imino-3,3-dimethylcyclohexan-1-one
N,N-diethyl-2-(5-phenyl-1,2-oxazol-3-yl)ethanamine
[3-carboxy-2-[(E)-2-methylbut-2-enoyl]oxypropyl]-trimethylazanium
2,3,4,5-Tetrahydro-1,1,3,3-tetramethyl-1H-pyrido[4,3-b]indol-8-ol
6-Methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydro-gamma-carboline
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
(1R)-3-(3-Butenyl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,4]diazocin-8-one
Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1]. Rhombifoline is an alkaloid isolated for the first time from the leaves and stems of A. foetida L.[1].
Lys-Pro(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Lys-Pro; major species at pH 7.3.
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.
(3s)-9-hydroxy-3-(methoxycarbonyl)-2-methylidenenonanoic acid
1-[2-hydroxy-4-(hydroxymethyl)-5,6-dimethyloxan-3-yl]-2-methylbutan-1-one
(2r)-5-[(3-methylbut-2-en-1-yl)oxy]-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran
(1r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one
ethyl (2r)-2-[(2r,5s)-5-[(2s)-2-hydroxybutyl]oxolan-2-yl]propanoate
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
(2r)-2-methyl-2-(4-methylpent-3-en-1-yl)chromen-6-ol
5-(3-hydroxybut-1-en-1-yl)-4-(hydroxymethyl)-4,6-dimethylcyclohexane-1,3-diol
(6as,10ar)-6,6,9-trimethyl-6ah,7h,8h,10ah-benzo[c]isochromen-2-ol
2-(prop-2-en-1-yl)-1,8-diazatetracyclo[8.3.1.0³,⁸.0³,¹²]tetradec-4-en-7-one
2-[5-(3-hydroxyhexan-2-yl)oxolan-2-yl]propanoic acid
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
(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-[(acetyloxy)methyl]-3-hydroxy-3-methyloct-6-enoic acid
(1s,3s,4r,5s,6r)-5-[(1e,3r)-3-hydroxybut-1-en-1-yl]-4-(hydroxymethyl)-4,6-dimethylcyclohexane-1,3-diol
(3S,SR,6R,7E;9S)-megastiman-7-ene-3,5,6,9-tetrol
{"Ingredient_id": "HBIN009731","Ingredient_name": "(3S,SR,6R,7E;9S)-megastiman-7-ene-3,5,6,9-tetrol","Alias": "NA","Ingredient_formula": "C13H24O4","Ingredient_Smile": "CC(C=CC1(C(CC(CC1(C)O)O)(C)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42641","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anagyrine
{"Ingredient_id": "HBIN015975","Ingredient_name": "anagyrine","Alias": "FYU1U980Q9; 5-24-03-00410 (Beilstein Handbook Reference); (1R,9R,10R)-7,15-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)?,(1)?]HEPTADECA-2,4-DIEN-6-ONE; BRN 0086776; ANAGYRINE; (-)-Anagyrine; UNII-FYU1U980Q9; 7,7a,8,9,10,11,13,14-Octahydro-7,14-memethano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one; 3,4,5,6-Tetradehydrospartein-2-one; (7alpha)-11,12,13,14-tetradehydrospartein-15-one; (-)-anagyrine; CHEMBL509692; Rhombinine; Anagyrine; AC1LE9O5; NSC76019; ZINC900282; Monolupine; 486-89-5","Ingredient_formula": "C15H20N2O","Ingredient_Smile": "C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O","Ingredient_weight": "244.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01268;SMIT05719","TCMID_id": "1134","TCMSP_id": "MOL003687;MOL006571","TCM_ID_id": "6815;17611","PubChem_id": "71056954","DrugBank_id": "NA"}
