Exact Mass: 228.151407
Exact Mass Matches: 228.151407
Found 500 metabolites which its exact mass value is equals to given mass value 228.151407,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2E-Dodecenedioic acid
Traumatic acid is a monounsaturated dicarboxylic acid naturally ocurring in plants. The compound was first isolated from wounded bean plants by American chemists James English Jr. and James Frederick Bonner and Dutch scientist Aire Jan Haagen-Smit in 1939. Traumatic acid is a potent wound healing agent in plants ("wound hormone") that stimulates cell division near a trauma site to form a protective callus and to heal the damaged tissue. It may also act as a growth hormone, especially in inferior plants (e.g. algae). Traumatic acid is biosynthesized in plants by non-enzimatic oxidation of traumatin (12-oxo-trans-10-dodecanoic acid), another wound hormone. At normal conditions, traumatic acid is a solid, crystalized, water insoluble substance. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2]. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2].
Leucylproline
Leucylproline is a dipeptide composed of leucine and proline. 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. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
Metyrapol
C14H16N2O (228.12625659999998)
Metyrapol is a metabolite of metyrapone. Metyrapone (trade name Metopirone) is a drug used in the diagnosis of adrenal insufficiency and occasionally in the treatment of Cushings syndrome (hypercortisolism). (Wikipedia)
11-Hydroxy-9-tridecenoic acid
11-Hydroxy-9-tridecenoic acid is found in fruits. 11-Hydroxy-9-tridecenoic acid is a constituent of Elaeagnus angustifolia (Russian olive) Constituent of Elaeagnus angustifolia (Russian olive). 11-Hydroxy-9-tridecenoic acid is found in fruits.
Isoleucylproline
Isoleucylproline is a dipeptide composed of isoleucine and proline. 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. It is found in urine (PMID: 3782411).
5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid
5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid is found in milk and milk products. 5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid is a possible latent butter aroma compoun
Menthone 1,2-glyceryl ketal
Menthone 1,2-glyceryl ketal, also known as menthone glycerin acetal or menthyl glycerin acetal, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. p-Menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthone 1,2-glyceryl ketal is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Menthone 1,2-glyceryl ketal is used as a food additive (EAFUS: Everything Added to Food in the United States). Menthone 1,2-glyceryl ketal is a flavour enhancer for chewing gum and other low moisture foods. Flavour enhancer for chewing gum and other low moisture foods
Menthyl lactate
Menthyl lactate is a flavouring ingredient. Flavouring ingredient
Menthone 1,3-glyceryl ketal
Menthone 1,3-glyceryl ketal is a flavouring ingredient especially for chewing gum. Flavouring ingredient especies for chewing gum
N,N,N-Trimethyl-L-alanyl-L-proline betaine
N,N,N-Trimethyl-L-alanyl-L-proline betaine (TMAP) belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. TMAP was previously an unknown potential plasma biomarker for glomerular filtration rate (GFR) but its structure has since been elucidated (PMID: 28706470). TMAP has also been identified as a potential plasma biomarker of reduced kidney function in early chronic kidney disease (CKD), end stage renal disease (ESRD), and hemodialytic clearance (PMID: 31048706).
7-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
C14H16N2O (228.12625659999998)
Indalpine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
Mifentidine
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
5-Methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
C14H16N2O (228.12625659999998)
(E)-7-Hydroperoxy-3,7-dimethyl-, 3-acetate 1,5-octadien-3-ol
(1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetate
A p-menthane monoterpenoid that is p-menth-2-ene substituted by a hydroperoxy group at position 1 and an acetyloxy group at position 8 (the 1R,4S stereoisomer). Isolated from the leaves of Laurus nobilis, it exhibits trypanocidal activity.
RU 24969
C14H16N2O (228.12625659999998)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists RU 24969 is a preferential 5-HT1B agonist, with a Ki of 0.38 nM, but also displays appreciable affinity for the 5-HT1A receptor (Ki=2.5 nM), and has low affinity for other receptor sites in the brain. RU 24969 could decrease fluid consumption and increase forward locomotion[1].
(10S,12S)-10-hydroxy-12-methyl-1-oxacyclododecane-2,5-dione
1-acetoxy-5-hydroxy-6,7-epoxy-3,7-dimethyl-octa-2e-ene
4-hydroperoxy-2RS,3RS-isopropyliden-hex-5-en-1-ol acetate
(1RS,2SR,4SR,4aSR,8aSR)-decahydro-4a,8,8-trimethylnaphthalene-1,2,4-triol|japonicumin D
(E)-4-(4-hydroxybenzylidene)-3,3,5-trimethyl-1,5-hexadiene|nodosol
(3R,9R)-2,8-dioxo-1,7-diazacyclododecane-3,9-diamine
C10H20N4O2 (228.15861800000002)
(1R,4S)-1-hydroperoxy-p-menth-2-en-8-ol acetate|2-((1S,4R)-4-hydroperoxy-4-methylcyclohex-2-en-1-yl)propan-2-yl acetate
trans-10-Acetoxy-2-decensaeure|trans-10-Acetoxy-dec-2-en-1-saeure|trans-10-Acetoxy-dec-2-ensaeure|trans-10-acetoxydec-2-enoic acid
7a,10a-dimethyl-5,6,8,9,10,10a-hexahydro-4H,7aH-pyrrolo[3,2:4,5]pyrrolo[3,2,1-ij]quinoline
(3S,4S,5S,6S,9S)-3,4-dihydroxy-5,6-dihydro-beta-ionol
2-hexylidene-3-methyl succinic acid 4-methyl ester
(E)-2-ethylidene-2,3,11,11a-tetrahydro-1Hbenzo[e]pyrrolo[1,2-a][1,4]diazepin-5(10H)-one|boseongazepine C
C14H16N2O (228.12625659999998)
5-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methylheptan-2-one
3-(E-3-hydroxy-3-methyl-but-1-enyl)-6-methylcyclohex-2-ene-1,4,6-triol|acremine F
9-methyl-1,2,3,4-tetrahydro-9H-9a,4a-[1]azapropano-carbazole
(2S*,5R*)-2,5-epidioxy-2-hydroxy-5-isopropyl-3-nonen-8-one|(2S*,5S*)-2,5-Epidioxy-2-hydroxy-5-isopropyl-3-nonen-8-one
Hexadeca-6,8,14-trien-10,12-diin-1-ol|Hexadeca-6t,8t,14t-trien-10,12-diin-1-ol|hexadeca-6t,8t,14t-triene-10,12-diyn-1-ol
(-)-(4E,7S)-7-methoxydodec-4-enoic acid|(4E,7S)-(-)-7-methoxydodec-4-enoic acid|(4E,7S)-7-methoxydodec-4-enoic acid
(6R,12S)-6-hydroxy-12-methyl-1-oxacyclododecane-2,5-dione
Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
C14H16N2O (228.12625659999998)
(7-hydroperoxy-3,7-dimethylocta-1,5-dien-3-yl) acetate
(-)-(3R,7R)-9,10-dihydro-11xi-hydroxyjasmonic acid
(2S,3S)-3-Methyl-2-((S)-pyrrolidine-2-carboxamido)pentanoic acid
Dodecenedioate (C12:1-DC)
Traumatic acid is a monounsaturated dicarboxylic acid naturally ocurring in plants. The compound was first isolated from wounded bean plants by American chemists James English Jr. and James Frederick Bonner and Dutch scientist Aire Jan Haagen-Smit in 1939. Traumatic acid is a potent wound healing agent in plants ("wound hormone") that stimulates cell division near a trauma site to form a protective callus and to heal the damaged tissue. It may also act as a growth hormone, especially in inferior plants (e.g. algae). Traumatic acid is biosynthesized in plants by non-enzimatic oxidation of traumatin (12-oxo-trans-10-dodecanoic acid), another wound hormone. At normal conditions, traumatic acid is a solid, crystalized, water insoluble substance. Traumatic acid is a monounsaturated straight-chain dicarboxylic acid with the double bond at C-2; a plant wound-healing hormone. It has a role as a plant hormone. Traumatic acid is a natural product found in Meehania urticifolia with data available. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2]. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2].
Dibutyl_maleate
Dibutyl maleate, the diester of the Maleic Acid, can be used as an intermediate of pharmaceutical synthesis. Dibutyl maleate can enhance contact sensitization to Fluorescein isothiocyanate in mice[1].
Menthyl lactate
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.307
3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one
5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol
Traumatic Acid
Traumatic acid is a monounsaturated dicarboxylic acid naturally ocurring in plants. The compound was first isolated from wounded bean plants by American chemists James English Jr. and James Frederick Bonner and Dutch scientist Aire Jan Haagen-Smit in 1939. Traumatic acid is a potent wound healing agent in plants ("wound hormone") that stimulates cell division near a trauma site to form a protective callus and to heal the damaged tissue. It may also act as a growth hormone, especially in inferior plants (e.g. algae). Traumatic acid is biosynthesized in plants by non-enzimatic oxidation of traumatin (12-oxo-trans-10-dodecanoic acid), another wound hormone. At normal conditions, traumatic acid is a solid, crystalized, water insoluble substance. [HMDB] Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2]. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2].
Indalpine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol [IIN-based: Match]
5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol [IIN-based on: CCMSLIB00000848981]
3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one [IIN-based on: CCMSLIB00000845434]
3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one [IIN-based: Match]
13-Methyl-4,4-Bisnor-8,11,13-Podocarpatrien-3-One_major
TERT-BUTYL3-((METHYLAMINO)METHYL)PIPERIDINE-1-CARBOXYLATE
tert-Butyl 4-amino-4-ethylpiperidine-1-carboxylate
1H-Indole,3-(1-ethyl-3-pyrrolidinyl)-1-methyl-(9CI)
tert-butyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
Propanedioic acid,2-ethyl-2-(2-propen-1-yl)-, 1,3-diethyl ester
4-[(METHYLAMINO)METHYL]PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
S-1-Boc-3-Dimethylaminomethyl-pyrrolidine hydrochloride
(S)-3-CHLORO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-Methyl-2-propanyl (3S)-3-(dimethylamino)-1-piperidinecarboxylat e
1,4-Cyclohexanedicarboxylicacid, 1,4-diethyl ester
(4-METHOXY-BENZYL)-PYRIDIN-2-YLMETHYL-AMINE
C14H16N2O (228.12625659999998)
(S)-TERT-BUTYL 2-((ETHYLAMINO)METHYL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate
CYCLOHEXANE-1,2-DICARBOXYLICACIDMONO-TERT-BUTYLESTER
3-(DIMETHYLAMINO)-2-(3,4-DIMETHYLBENZOYL)ACRYLONITRILE
C14H16N2O (228.12625659999998)
1-(1-BENZYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)ETHANONE
C14H16N2O (228.12625659999998)
tert-butyl 5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylate
(t-Butoxy)-N-[(3-aminocyclohexyl)methyl]carboxamide
(R)-3-ETHYLAMINO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(2-METHYLPROPYL)-5-PHENYL-2(1H)-PYRAZINONE
C14H16N2O (228.12625659999998)
tert-butyl N-(2-amino-1-cyclopentylethyl)carbamate
Tert-Butyl 4-Carbamimidoylpiperazine-1-Carboxylate
C10H20N4O2 (228.15861800000002)
tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
(4-METHOXY-BENZO[1,3]DIOXOL-6-)-METHYLAMINE
C14H16N2O (228.12625659999998)
ethyl 1-(dimethylcarbamoyl)piperidine-2-carboxylate
2-Methyl-2-propanyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxy latato
4-(5-phenyl-3-isoxazolyl)piperidine
C14H16N2O (228.12625659999998)
4-PIPERIDIN-4-YL-QUINOLINE 1-OXIDE
C14H16N2O (228.12625659999998)
2-(2-(1,3-Dioxolan-2-yl)ethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-(2,2-Diethoxyethyl)-1H-pyrazol-4-ylboronic acid
C9H17BN2O4 (228.12813119999998)
(6S,2Z)-6,7-ISOPROPYLIDENEDIOXY-3,7-DIMETHYL-2-OCTEN-1-OL
3-(5-DIMETHYLAMINO-PHENOXY)-PHENYLAMINE
C14H16N2O (228.12625659999998)
N-(2-Aminoethyl)-2-(1-Naphthyl)Acetamide
C14H16N2O (228.12625659999998)
N-(TRIMETHYLAMINE-BORANE-CARBONYL)PROLINE METHYL ESTER
C10H21BN2O3 (228.16451460000002)
2-TRIMETHYLSILYL-1-ETHYLBORONIC ACID PINACOL ESTER
C11H25BO2Si (228.17167800000004)
(6S,2E)-6,7-Isopropylidenedioxy-3,7-dimethyl-2-octen-1-ol
1-(4-METHOXY-PHENYL)-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE
C14H16N2O (228.12625659999998)
(1R,2S)-Diethyl cyclohexane-1,2-dicarboxylate
6-(4-Ethylphenyl)-2,5-dimethyl-4-pyrimidinol
C14H16N2O (228.12625659999998)
(S)-(-)-2-(Cyclohexylmethyl)succinic acid 1-methyl ester
tert-butyl (3S)-3-acetamidopyrrolidine-1-carboxylate
ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
4-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-PHENYLAMINE
Vabicaserin
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
5-(Phenylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
(3S 5R 8AS)-(+)-HEXAHYDRO-3-PHENYL-5H-O&
C14H16N2O (228.12625659999998)
(R)-2-(CYCLOHEXYLMETHYL)SUCCINIC ACID-1-METHYL ESTER
tert-butyl 5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate
1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid dimethyl ester
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol
C14H16N2O (228.12625659999998)
Silane, [(2E)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-butenyl]trimethyl- (9CI)
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
C14H16N2O (228.12625659999998)
2-Pyrimidinecarbonitrile,4,6-dimethyl- (6ci,8ci,9ci)
tert-butyl 4-cyano-4-fluoropiperidine-1-carboxylate
C11H17FN2O2 (228.12739940000003)
5-(pyrrolidin-1-ylmethyl)quinolin-8-ol
C14H16N2O (228.12625659999998)
(2R,3E,5S)-1,2-Dihydroxy-5-isopropyl-2-methyl-3-nonen-8-one
(2S,3E,5S)-1,2-Dihydroxy-5-isopropyl-2-methyl-3-nonen-8-one
(5S,6S,7R)-8-Hydroxy-5-isopropyl-8-methyl-6,7-epoxynonan-2-one
3,3,5-Trimethyl-8-isopropyl-4,9-dioxabicyclo[3.3.1]nonan-2-ol
(4S)-6-(2-Hydroxy-2-propyl)-4-isopropyl-1-methyl-7,8-dioxabicyclo[3.2.1]octane
(E)-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnon-2-one
4-Ethynylbenzeneboronic acid pinacol ester
C14H17BO2 (228.13215320000003)
Ethyl 8-Methyl-1,4-dioxa-spiro[4,5]decane-8-carboxylate
1,4,8,11-TETRAAZACYCLOTETRADECANE-5,7-DIONE
C10H20N4O2 (228.15861800000002)
4,4,5,5-TETRAMETHYL-2-(PHENYLETHYNYL)-1,3,2-DIOXABOROLANE
C14H17BO2 (228.13215320000003)
5-[4-(1-Methylethoxy)phenyl]-2-pyridinamine
C14H16N2O (228.12625659999998)
5-Amino-1,6,6a,7,8,9-hexahydropyrrolidino[1,2-a]quinoline hydrochloride, tech.
2-ACETYL-8-METHYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
C14H16N2O (228.12625659999998)
(-)-2-Cyano-6-phenyloxazolopiperidine
C14H16N2O (228.12625659999998)
N-(4,6-DIMETHYLPYRIMIDIN-2-YL)-N-METHYLBENZENE-1,4-DIAMINE
2-Morpholino-2,3-dihydro-1H-indene-2-carbonitrile
C14H16N2O (228.12625659999998)
6-Benzyl-3-isopropyl-2(1H)-pyrazinone
C14H16N2O (228.12625659999998)
L-Ornithine, N5-(4,5-dihydro-4-methyl-5-oxo-1H-imidazol-2-yl)-
Silane, (2,3-dimethyl-2-butene-1,4-diyl)bis(trimethyl-, Z-
1,1,3,3-Tetramethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
2,4,5,7-Tetramethyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole
1-(2-Amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid
(2S)-1-[(2S)-2-azaniumyl-4-methylpentanoyl]pyrrolidine-2-carboxylate
(2S)-4-methyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]pentanoate
(3S,4Z,6E,8R,9S)-3,9-dihydroxy-4,8-dimethyldeca-4,6-dienoic acid
(2E)-13-hydroxytridec-2-enoic acid
An omega-hydroxy fatty acid that is tridecanoic acid that has been dehydrogenated to introduce a trans double bond at the 2-3 position and in which one of the hydrogens attached to the terminal methyl group is replaced by a hydroxy group.
(2E,12R)-12-hydroxytridec-2-enoic acid
An (omega-1)-hydroxy fatty acid that is (2E)-tridec-2-enoic acid in which the 12-pro-R hydrogen is replaced by a hydroxy group.
2-[3-(2-Cyanopropan-2-yl)-5-hydroxyphenyl]-2-methylpropanenitrile
C14H16N2O (228.12625659999998)
1-(2-Amino-3-methylpentanoyl)pyrrolidine-2-carboxylic acid
(1R,3S)-dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
6-Methyl-3-propyl-1,2,3,4-tetrahydro-gamma-carboline
1,7-Trimethylene-2-methyl-3-(beta-aminopropyl)-indole
2-Formyl-5,7-dimethyl-1,2,3,4-tetrahydropyrimido[3,4-a]indole
C14H16N2O (228.12625659999998)
8,9-Ethylene-4A,9A-dimethyl-1,2,3,4,4A,9A-hexahydropyrido(2,3-B)indole
Leu-Pro zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Leu-Pro.
phevalin
C14H16N2O (228.12625659999998)
A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and benzyl groups at position 3 and 6, respectively. It is a natural product found in Staphylococcus aureus that inhibits calpain in a casein hydrolysis assay (IC50 = 1.3 muM), contributes to S. aureus infection in mice, and alters human keratinocyte gene expression.
N-decanoylglycinate
An N-acylglycinate that is the conjugate base of N-decanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
13-methyl-4,4-bisnorpodocarpa-8,11,13-trien-3-one
A tricyclic diterpenoidthat is 4a,7-dimethyl-3,4,4a,9,10,10a-hexahydrophenanthrene in which the methylene hydrogens at position 2 have been replaced by an oxo group.
dodecanedioate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of dodecanedioic acid; major species at pH 7.3.
SIRT1-IN-1
C14H16N2O (228.12625659999998)
SIRT1-IN-1 is a selective SIRT1 inhibitor with an IC50 of 0.205 μM. SIRT1-IN-1 inhibits SIRT2 with an IC50 of 11.5 μM[1]. SIRT1-IN-1, a indole, is a cytomegalovirus (CMV) inhibitors and has antiviral activity[2].
4-[3,3-dimethyl-2-(prop-1-en-2-yl)penta-1,4-dien-1-yl]phenol
(3r,9r)-3,9-diamino-1,7-diazacyclododeca-1,7-diene-2,8-diol
C10H20N4O2 (228.15861800000002)
(1r,2s)-2-{[(2r,2'r,3r,3's)-3'-[(1r)-1-hydroxybutyl]-[2,2'-bioxiran]-3-yl]methyl}cyclopropan-1-ol
n-[2-(hydroxyimino)-4-methylpentanoyl]-3-methylbutanimidic acid
(2r,5s,6r,8r)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decane-6,8-diol
1-hydroxy-4-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-one
2-amino-4-methylpentanoyl pyrrolidine-2-carboxylate
5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
(3e,5r,6r,12r)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
8,9-dihydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
4-[(2r)-1,3,3-trimethylaziridin-2-yl]quinolin-2-ol
C14H16N2O (228.12625659999998)
4,8-dihydroxy-12-methyl-1-oxacyclododec-5-en-2-one
(1s,4r)-1-[(3s)-3-hydroxybutyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
(2s)-2-amino-5-[(4-hydroxy-5-methyl-1,5-dihydroimidazol-2-ylidene)amino]pentanoic acid
3-hydroxy-3-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)propanoic acid
(5z,7s,8r,10r)-7,8-dihydroxy-10-propyl-3,4,7,8,9,10-hexahydrooxecin-2-one
2-octen-1-ol,7-[(tetrahydro-2H-pyran-2-yl)oxy]
{"Ingredient_id": "HBIN006222","Ingredient_name": "2-octen-1-ol,7-[(tetrahydro-2H-pyran-2-yl)oxy]","Alias": "NA","Ingredient_formula": "C13H24O3","Ingredient_Smile": "NA","Ingredient_weight": "228.33","OB_score": "34.08709571","CAS_id": "77758-38-4","SymMap_id": "SMIT05660","TCMID_id": "NA","TCMSP_id": "MOL003615","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-megastigmene-3,6,9-triol
{"Ingredient_id": "HBIN013307","Ingredient_name": "7-megastigmene-3,6,9-triol","Alias": "NA","Ingredient_formula": "C13H24O3","Ingredient_Smile": "CC1CC(CC(C1(C=CC(C)O)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13641","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-[(6r)-1,6-dihydroxyheptyl]-3-methyl-5h-furan-2-one
(5s)-5-hydroxy-5-(6-hydroxy-6-methylheptyl)furan-2-one
3-(1,4-dihydroxy-2,2,6-trimethylcyclohexyl)prop-2-enoic acid
n-[(2z)-2-(hydroxyimino)-4-methylpentanoyl]-3-methylbutanimidic acid
(7e,9s)-9-hydroxy-9-[3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
1-{1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-yl}propan-2-one
C14H16N2O (228.12625659999998)
2-(2-methylbut-3-en-2-yl)-1h-indole-3-carboximidic acid
C14H16N2O (228.12625659999998)
(1s,4s,6r)-1-[(1e,3r)-3-hydroxybut-1-en-1-yl]-2,2,6-trimethylcyclohexane-1,4-diol
[3-(1-hydroperoxy-2-methylprop-2-en-1-yl)-2,2-dimethylcyclopropyl]methyl acetate
(7e,9s)-9-hydroxy-9-[(2r,3s)-3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
(1s,4s)-1-[(3r)-3-hydroxybutyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
2-[(1s,4r)-4-hydroperoxy-4-methylcyclohex-2-en-1-yl]propan-2-yl acetate
(6e,8s,9s,10r)-8,9-dihydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
6-benzyl-3-isopropyl-1h-pyrazin-2-one
C14H16N2O (228.12625659999998)
(2r,3s,4e)-3-(methoxycarbonyl)-2-methylnon-4-enoic acid
(3z,5s,6s,12r)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
(4e,6s,7s)-6-hydroxy-3,7-dimethyl-8-oxodec-4-enoic acid
4-(3-hydroxybutyl)-5-(hydroxymethyl)-3,3-dimethylcyclohexan-1-one
(2e)-2-[(2r)-1-methoxy-1-oxopropan-2-yl]oct-2-enoic acid
1-[(3s,4r,5s,6s)-4-(hydroxymethyl)-5,6-dimethyloxan-3-yl]-2-methylbutan-1-one
(5s)-5-[(1s,7s)-1,7-dihydroxyoctyl]-5h-furan-2-one
1-[(9r)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-yl]propan-2-one
C14H16N2O (228.12625659999998)
(2-{[(2-aminophenyl)methyl]amino}phenyl)methanol
C14H16N2O (228.12625659999998)
(2e)-3-[(1r,4r,6s)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]prop-2-enoic acid
1-(3-hydroxybutyl)-2,6,6-trimethylcyclohex-2-ene-1,4-diol
(3s)-3-hydroxy-3-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]propanoic acid
(3z,5r,6r,12r)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
7,8-dihydroxy-10-propyl-3,4,7,8,9,10-hexahydrooxecin-2-one
9-hydroxy-9-[3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
(3r,5e)-7-hydroperoxy-3,7-dimethylocta-1,5-dien-3-yl acetate
(4s,8r,12r)-4,8-dihydroxy-12-methyl-1-oxacyclododec-5-en-2-one
(4r,12r)-4-hydroxy-12-methyl-1-oxacyclododecane-2,8-dione
2,6,10,10-tetramethyl-1-oxaspiro[4.5]decane-6,8-diol
(4s,8s,12r)-4,8-dihydroxy-12-methyl-1-oxacyclododec-5-en-2-one
(6e,8e,12e,14e)-hexadeca-6,8,12,14-tetraen-10-ynal
(1s,2r,4s)-5-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-2-methylcyclohex-5-ene-1,2,4-triol
4-[(1e)-3,3-dimethyl-2-(prop-1-en-2-yl)penta-1,4-dien-1-yl]phenol
4-hydroxy-6-(4-hydroxybut-2-en-2-yl)-3,3,5-trimethyloxan-2-one
(4r,5s,6s)-4-hydroxy-6-(4-hydroxybut-2-en-2-yl)-3,3,5-trimethyloxan-2-one
(1r,4s,6r)-1-[(1e,3r)-3-hydroxybut-1-en-1-yl]-2,2,6-trimethylcyclohexane-1,4-diol
(5e,7s)-5-ethylidene-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-2-one
C14H16N2O (228.12625659999998)
(2s)-2-amino-4-methylpentanoyl (2s)-pyrrolidine-2-carboxylate
(1r,4s)-6-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate
(4e,6s,7e)-4,6-dimethyl-8-phenylocta-4,7-dien-2-one
(3e,5s,6s,12s)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
1-(3-hydroxybut-1-en-1-yl)-2,2,6-trimethylcyclohexane-1,4-diol
1-[4-(hydroxymethyl)-5,6-dimethyloxan-3-yl]-2-methylbutan-1-one
(2s)-2-[4-hydroxy-2-(hydroxymethyl)but-1-en-1-yl]-5-methylhex-4-enoic acid
5-ethylidene-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-2-one
C14H16N2O (228.12625659999998)
3,9-diamino-1,7-diazacyclododeca-1,7-diene-2,8-diol
C10H20N4O2 (228.15861800000002)