Exact Mass: 274.1641
Exact Mass Matches: 274.1641
Found 500 metabolites which its exact mass value is equals to given mass value 274.1641,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Podocaric Acid
Podocarpic acid is an abietane diterpenoid lacking the isopropyl substituent with an aromatic C-ring and a hydroxy group at the 12-position. It derives from a hydride of a podocarpane. Podocarpic acid is a natural product found in Podocarpus fasciculus, Nageia wallichiana, and other organisms with data available. Podocarpic acid is a natural product, which has the best all-round positive effect and acts as a novel TRPA1 activator.
Nandrolone
Nandrolone is a C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone, but it has one less carbon atom at the 19 position (Pubchem). Nandrolone is an anabolic steroid occurring naturally in the human body, albeit in small quantities. Nandrolone is most commonly sold commercially as its decanoate ester (Deca-Durabolin) and less commonly as a phenylpropionate ester (Durabolin). Nandrolone use is indirectly detectable in urine tests by testing for the presence of 19-norandrosterone, a metabolism product of this molecule. The International Olympic Committee has set a limit of 2 ng per ml of urine as the upper limit, beyond which an athlete is suspected of doping (Wikipedia). Nandrolone is a C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone but less one carbon at the 19 position. -- Pubchem; Nandrolone is an anabolic steroid occurring naturally in the human body, albeit in small quantities. Nandrolone is most commonly sold commercially as its decanoate ester (Deca-Durabolin) and less commonly as a phenylpropionate ester (Durabolin). Nandrolone use is indirectly detectable in urine tests by testing for the presence of 19-norandrosterone, a metabolism product of this molecule. The International Olympic Committee has set a limit of 2 ng per ml of urine as the upper limit, beyond which an athlete is suspected of doping. -- Wikipedia [HMDB] A - Alimentary tract and metabolism > A14 - Anabolic agents for systemic use > A14A - Anabolic steroids > A14AB - Estren derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid S - Sensory organs > S01 - Ophthalmologicals
Cinmethylin
4-Hydroxy-3-polyprenylbenzoate
This compound belongs to the family of Aromatic Monoterpenes. These are monoterpenes containing at least one aromatic ring D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
2-Polyprenyl-6-methoxy-1,4-benzoquinone
This compound belongs to the family of Prenylquinones. These are quinones whose structure is charaterized by the quinone ring substitued by an prenyl side-chain.
Adelmidrol
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer Adelmidrol exerts important anti-inflammatory effects that are partly dependent on PPARγ. Adelmidrol reduces NF-κB translocation, and COX-2 expression.
[6]-Dehydroshogaol
[6]-Dehydroshogaol is found in herbs and spices. [6]-Dehydroshogaol is a constituent of ginger (Zingiber officinale) rhizomes. Constituent of ginger (Zingiber officinale) rhizomes. [6]-Dehydroshogaol is found in herbs and spices.
(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid
(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid is found in fruits. (10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid is a constituent of the roots of Ximenia americana (tallow nut) Constituent of the roots of Ximenia americana (tallow nut). (10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid is found in fruits.
2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices. 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is isolated from dry rhizomes of ginger Zingiber officinale. Isolated from dry rhizomes of ginger Zingiber officinale. 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices.
1b-Furanoeudesm-4(15)-en-1-ol acetate
1b-Furanoeudesm-4(15)-en-1-ol acetate is found in green vegetables. 1b-Furanoeudesm-4(15)-en-1-ol acetate is a constituent of Smyrnium olusatrum (alexanders)
Panaquinquecol 4
Panaquinquecol 4 is found in tea. Panaquinquecol 4 is a constituent of Panax quinquefolium (American ginseng). Constituent of Panax quinquefolium (American ginseng). Panaquinquecol 4 is found in tea.
Lysyllysine
Lysyllysine is a dipeptide composed of two lysine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. 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.
Glutaminyllysine
Glutaminyllysine is a dipeptide composed of glutamine and lysine. 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.
Lysylglutamine
Lysylglutamine is a dipeptide composed of lysine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. 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.
3-Hydroxytetradecanedioic acid
3-Hydroxytetradecanedioic acid is an unusual 3-hydroxydicarboxylic acid human metabolite found occasionally in urine. (PMID 2925825) High levels of 3-Hydroxytetradecanedioic acid (and other 3-hydroxydicarboxylic acids) were detected in the urine of a patient with 3-hydroxydicarboxylic aciduria (PMID 1507493), due to acute intoxication associated with hopantenate occurs owing to pantothenic acid deficiency or the inhibition of CoA-requiring reactions during stress, i.e., infection, prolonged fasting, or malnutrition (PMID 2026687), and in a patient with thanatophoric dysplasia due to enhanced but incomplete oxidation of fatty acid, a consequence of a heterozygous point mutation, S249C in the fibroblast growth factor receptor 3 gene. (PMID 11879084) [HMDB] 3-Hydroxytetradecanedioic acid is an unusual 3-hydroxydicarboxylic acid human metabolite found occasionally in urine. (PMID 2925825) High levels of 3-Hydroxytetradecanedioic acid (and other 3-hydroxydicarboxylic acids) were detected in the urine of a patient with 3-hydroxydicarboxylic aciduria (PMID 1507493), due to acute intoxication associated with hopantenate occurs owing to pantothenic acid deficiency or the inhibition of CoA-requiring reactions during stress, i.e., infection, prolonged fasting, or malnutrition (PMID 2026687), and in a patient with thanatophoric dysplasia due to enhanced but incomplete oxidation of fatty acid, a consequence of a heterozygous point mutation, S249C in the fibroblast growth factor receptor 3 gene. (PMID 11879084).
Lysyl-Gamma-glutamate
Lysyl-Gamma-glutamate is a dipeptide composed of lysine and gamma-glutamate. 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.
Platydesminium
Platydesminium is found in herbs and spices. Platydesminium is an alkaloid from Ruta graveolens (rue
Imazamethabenz
Herbicidal metabolite of imazamethabenz-methyl. Acetolactate synthase inhibitor Herbicidal metabolite of imazamethabenz-methyl. Acetolactate synthase inhibito
1-Phenyl-1,3-dodecanedione
1-Phenyl-1,3-dodecanedione is found in fats and oils. 1-Phenyl-1,3-dodecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-dodecanedione is found in fats and oils.
Rhodinyl phenylacetate
Rhodinyl phenylacetate is a flavouring ingredient. Flavouring ingredient
Citronellyl alpha-toluate
Citronellyl alpha-toluate is a flavouring ingredient and flavour enhancer for fruit flavours. Not reported in nature. Flavouring ingredient and flavour enhancer for fruit flavours. Not reported in nature
4-Alanylaminoantipyrine
4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid
Adelmidrol
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer Adelmidrol exerts important anti-inflammatory effects that are partly dependent on PPARγ. Adelmidrol reduces NF-κB translocation, and COX-2 expression.
Indolophenanthridine
3a-Methyl-2,3,4,5,5a,10,10a,10b-octahydro-1H-cyclopenta[a]fluorene-2,3,7-triol
Apo-13-zeaxanthinone
Apo-13-zeaxanthinone is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Apo-13-zeaxanthinone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-13-zeaxanthinone can be found in a number of food items such as red bell pepper, italian sweet red pepper, pepper (c. annuum), and orange bell pepper, which makes apo-13-zeaxanthinone a potential biomarker for the consumption of these food products.
[4aS-(4aalpha,8beta,8abeta)]-4,4a,7,8,8a,9-Hexahydro-3,5,8a-trimethylnaphtho[2,3-b]furan-8-ol acetate
Podocarpic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.131 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.128 Podocarpic acid is a natural product, which has the best all-round positive effect and acts as a novel TRPA1 activator.
8-methoxy-2-methyl-2-(4-methyl-3-pentenyl)-2h-1-benzopyran-6-ol
2-[2-(1H-indol-3-yl)acetamido]-3-methylbutanoic acid
[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl] benzoate
(+-)-1-hydroxy-16,17-didehydro-1,2-dihydro-falcarinolone|1,8-dihydroxy-heptadeca-9c,16-diene-4,6-diyn-3-one
6,17-dimethyl-18,19-dinor-17alpha-pregna-1,3,5,7,9,11,13-heptaene|6,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene
2-Polyprenyl-6-methoxy-1,4-benzoquinone
This compound belongs to the family of Prenylquinones. These are quinones whose structure is charaterized by the quinone ring substitued by an prenyl side-chain.
(13E)-octadec-13-en-9,11-diynoic acid|13-Octadecen-9,11-diinsaeure|Exocarpic acid|Octadec-13t-en-9,11-diinsaeure|octadec-13t-ene-9,11-diynoic acid|Octadeca-13t-en-9,11-diinsaeure|trans-Octadec-13-en-9,11-diinsaeure
17-Octadecen-9,11-diinsaeure|Erythrogensaeure|Isansaeure|Octadec-17-en-9,11-diinsaeure|octadec-17-ene-9,11-diynoic acid
(2E,3R,4R)-2-(dodeca-9,11-diynylidene)-3-hydroxy-4-methylbutanolide
(all-Z)-9,12,15-Octadecatrien-6-ynoic acid|9(Z),12(Z),15(Z)-Octadecatrien-6-ynoic acid|dicranin
2-(R)-acetoxy-(1<10>E,4E)-furanodiene|2-(R)-acetoxy-(1[10]E,4E)-furanodiene
8-Ac-(Z)-1,9-Pentadecadiene-4,6-diyne-3,8-diol|8-acetoxy-1,9(Z)-pentadecadien-4,6-diyn-3-ol|8-Acetoxy-1,9c-pentadecadien-4,6-diin-3-ol|8-acetoxycentellynol
(+)-(4aS,7R,8aS)-6,9,9-trimethyl-4,4a,7,8,8a,9-hexahydronaphtho<2,3-b>furan-7-yl acetate|(+)-(4aS,7R,8aS)-6,9,9-trimethyl-4,4a,7,8,8a,9-hexahydronaphtho[2,3-b]furan-7-yl acetate
1-[3,6-Dimethyl-5-(3-methylbutanoyl)-2-pyrazinyl]-3-methyl-2-buten-1-one #
(+)-(4aS,6R,8aS)-4,4,7-trimethyl-4,4a,5,6,8,8a,9-hexahydronaphtho<2,3-b>furan-6-yl acetate|(+)-(4aS,6R,8aS)-4,4,7-trimethyl-4,4a,5,6,8,8a,9-hexahydronaphtho[2,3-b]furan-6-yl acetate
Liagoric acid|octadec-5-yne-7Z,9Z,12Z-trienoic acid
3,17-dimethyl-18,19-dinor-17alpha-pregna-1,3,5,7,9,11,13-heptaene|3,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene
(5beta,10alpha)-12-hydroxy-3,4-seco-podocarpa-4(18),8,11,13-tetraen-3-oic acid|moluccanic acid
Piperazineethanol, 4-(alpha,alpha,alpha-trifluoro-m-tolyl)-
1-Ac-(Z,Z)-2,9-Pentadecadiene-4,6-diyne-1,8-diol|1-Acetoxypentadecadien-(2c,9c)-diin-(4,6)-ol-(8)
(2E)-2-(3,7-dimethylocta-2,6-dienyl)-4-hydroxy-1-methoxy-6-methylbenzene
(15E,8Z)-3-Hydroxy-8,15-heptadecadiene-11,13-diynoic acid
(2E)-1-hydroxy-2-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-6-methylbenzene|1-hydroxy-2-(3,7-dimethyl-octa-2,6-dienyl)-4-methoxy-6-methyl-benzene|2-[(2E)-3,7-dimethyl-2,6-octadienyl]-4-methoxy-6-methylphenol
12-methoxy-13-hydroxypodocarpa-8,11,13-triene|12-methoxypodocarpa-8,11,13-trien-13-ol|13-hydroxy-12-methoxy-13-deisopropyldehydroabietane|13-hydroxy-12-methoxy-8,11,13-podocarpatriene
(6S)-5,6,dihydro-6-[(2R)-2-hydroxy-6-phenylhexyl]-2H-pyran-2-one|(6S)-5,6-dihydro-6-[(2R)-2-hydroxy-6-phenylhexyl]-2H-pyran-2-one|(6S)-6-[(2R)-2-hydroxy-6-phenylhexyl]-5,6-dihydro-2H-pyran-2-one
(5beta,10alpha)-12,13-dihydroxypodocarpa-8,11,13-trien-3-one
(3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one
(3E,3?E)-4,4?-(3,6-dimethyl-1,2-phenylene)bis(2-methylbut-3-en-2-ol)|caulerprenylol A
N-[2,6-dioxo-1-(2-phenylethyl)-3-piperidinyl]acetamide
4-(1-Hydroxyethyl)-2,6-bis(3-methyl-2-butenyl)phenol
(3R,6R)-3-hydroxy-13-apo-alpha-caroten-13-one|(3R,6R)-3-hydroxy-13-apo-epsilon-caroten-13-one|(3R,6R,7E,9E,11E)-3-hydroxy-13-apo-alpha-caroten-13-one
12-hydroxy-13-methoxy-13-deisopropyldehydroabietane|12-hydroxy-13-methoxy-8,11,13-podocarpatriene
13-methoxypodocarpa-8,11,13-trien-14-ol|14-hydroxy-13-methoxy-8,11,13-podocarpatriene
9,10-Epoxide-(Z)-1,9,16-Heptadecatriene-4,6-diyne-3,8-diol
(5SR,8SR,9SR,10RS,13SR)-13-hydroxy-15,16-dinorlabr-1,4(18)dien-3-one|tagalsin Q
2,17-dimethyl-18,19-dinor-17alpha-pregna-1,3,5,7,9,11,13-heptaene|2,17-Dimethyl-18-19-dinorpregna-1,3,5,7,8,11,13-heptaene
2,4,4-trimethyl-3-((1E,3E)-3-methyl-7-oxo-octa-1,3-dienyl)cyclohex-2-enone|trisporin B
8,9-dihydro-10-methoxy-2,2,7,7-tetramethyl-2H,7H-benzo[1,2-b:5,4-b]dipyran|metacalypogin
Indole-3-acetyl-L-valine
Annotation level-1 IPB_RECORD: 285; CONFIDENCE confident structure
IAA-Val , Indole-3-acetyl-L-valine
IPB_RECORD: 2321; CONFIDENCE confident structure
IAA-val
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Nandrolone
A - Alimentary tract and metabolism > A14 - Anabolic agents for systemic use > A14A - Anabolic steroids > A14AB - Estren derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17. C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid S - Sensory organs > S01 - Ophthalmologicals
PRI_275.1391_17.2
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1601
C13H22O6_2-Furanacetic acid, tetrahydro-alpha-methyl-5-(2-oxopropyl)-, 2,3-dihydroxypropyl ester
C17H22O3_1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 2-benzoate, (1S,2S,4R)
(4aS)-6,7-dihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
ascr#7
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,6R)-6-hydroxyhept-2-enoic acid with ascarylopyranose (the alpha anomer). A metabolite of the nematode Caenorhabditis elegans, it is weakly dauer inducing and a weak male-attractant. CONFIDENCE standard compound; INTERNAL_ID 98
[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl] benzoate_major
2,4,6-Heptatrienoic acid, 5-methyl-7-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, (2E,4E,6E)-
Lys-GLN
A dipeptide composed of L-lysine and L-glutamine joined by a peptide linkage.
1b-Furanoeudesm-4(15)-en-1-ol acetate
(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid
oscr#7
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-7-hydroxyhept-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
tert-butyl 4-(1-hydroxy-2-nitroethyl)piperidine-1-carboxylate
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N-tert-butyl-acetamide
HEXAMETHYLENEAMMONIUM HEXAMETHYLENEDITHIOCARBAMATE
4-(E-2-Carboxyvinyl)phenylboronic acid pinacol ester
2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
5,5,5-Trifluoro-N2-[(1R)-1-phenylethyl]-D-norvalinamide
tert-Butyl (3-(4-cyanophenyl)oxetan-3-yl)carbamate
3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine
7-(PROP-2-YN-1-YL)-1,3-DIPROPYL-1H-PURINE-2,6(3H,7H)-DIONE
3-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
ETHYL 1-BENZYL-HEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE
Tybamate
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
N-METHYL-2-MORPHOLINO-5-(TRIFLUOROMETHYL)BENZYLAMINE
2-Pyrrolidin-1-ylpyridine-3-boronic acid pinacol ester
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N,N-diethyl-acetamide
2,2-Dimethyl-N-(5-trimethylsilanylethynyl-pyridin-2-yl)-propionamide
octahydro-quinoxaline-1-carboxylic acid benzyl ester
ethyl 5-cyano-6-methyl-2-piperazin-1-ylpyridine-3-carboxylate
1-(1-BENZYL-PIPERIDIN-4-YL)-AZETIDINE-3-CARBOXYLIC ACID
tert-Butyl N-[2-(Boc-amino)ethyl]-N-methylcarbamate
diethyl 2-propan-2-yl-1,3-dioxane-5,5-dicarboxylate
2,2-Dimethyl-N-(3-trimethylsilanylethynyl-pyridin-2-yl)-propionamide
benzyl 2-amino-7-azaspiro[3.5]nonane-7-carboxylate
(S)-2-Azido-4-(Methylthio)butanoic acid cyclohexylamMonium salt
1,1,3-Propanetricarboxylicacid, 2-methyl-, 1,1,3-triethyl ester
N-(4-oxospiro[chroman-2,4-piperidine]-6-yl)acetamide
(1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)methanol
methyl-2,3:4,6-di-o-isopropylidene-d-mannopyranoside
ETHANONE, 1-[1-[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]
1,4,7,10,13-Benzopentaoxacyclopentadecin,tetradecahydro-
2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane,prop-2-enoic acid
2,6-DIMETHOXY-4-{[(PYRIDIN-3-YLMETHYL)AMINO]METHYL}PHENOL
ETHYL1-BENZYLHEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE
2,6-Diazaspiro[4.5]decane-2-carboxylic acid, phenylmethyl ester
tert-butyl 5-propanoylpyrrolo[3,2-b]pyridine-1-carboxylate
[3-(2-AMINO-ETHYL)-1H-INDOL-2-YL]-ACETIC ACID TERT-BUTYL ESTER
2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethanol
(4S,5S)-2,2-diMethyl-1,3-Dioxolane-4,5-dicarboxylic acid 4,5-bis(1-Methylethyl) ester
2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
1,2-o-cyclohexylidene-3-o-methyl-alpha-d-glucofuranose
CY 208-243
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-6-methyl-4-(3-methylphenyl)-2-oxo-,ethylester(9CI)
tert-butyl (2-(5-methyl-1H-indol-3-yl)ethyl)carbamate
(alphaR,betaS)-beta-Amino-6-(1,1-dimethylethyl)-alpha-methyl-1H-benzimidazole-2-propanamide
Ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
2-Heptenoic acid, 6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-, (2E,6R)-
Isamoltan
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(2E)-7-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hept-2-enoic acid
5-Methyl-8-nitro-1,2,4,5-tetrahydrospiro[2-benzazepine-3,1-cyclohexane]
4,6-Dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
4-(Dimethylamino)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
4-[(1,2-Dimethyl-5-indolyl)methylamino]-4-oxobutanoic acid
(2-Carbamoylmethyl-5-propyl-octahydro-indol-7-YL)acetic acid
(3R)-3-methyl-D-glutamyl-semialdehyde-Nepsilon-L-lysine
(2S,3S,7R)-2-amino-3-amino-7-hydroxy-8-(2-iminoimidazolidin-4-yl)octanoate
[(2S)-3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-4-carboxybut-3-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-3-hydroxyhex-4-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(3-oxohexanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-oxohexanoyloxy)propyl]-trimethylazanium
4-(phenylmethyl)-N-prop-2-enyl-1-piperidinecarbothioamide
2,3-Dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate
(2E,4E,6E,8E,10E)-octadecapentaenoic acid
A polyunsaturated fatty acid that is octadecapentaenoic acid in which the five double bonds are located at positions 2, 4, 6, 8 and 10 (the all-trans-geoisomer).
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-(4-hydroxyphenyl)ethan-1-aminium
2-[(4-Methoxyphenyl)hydrazinylidene]-5,5-dimethylcyclohexane-1,3-dione
3-[3,8-Bis(ethenyl)deca-1,4,6,9-tetraen-3-yl]bicyclo[3.1.1]hepta-1(6),2,4-triene
6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid
6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid
[(2R)-3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoic acid
(2S)-N-Carbobenzoxy-2-(pyrrolidine-2-YL)pyrrolidine
4-(Trimethylsilylmethyl)-6-(2-phenylethyl)-5,6-dihydro-2H-pyran
(7E,9E,11E,13E,15E)-octadeca-7,9,11,13,15-pentaenoic acid
3-Geranyl-4-hydroxybenzoic acid
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
6-Methoxy-2-(3,7-dimethyl-2,6-octadienyl)-2,5-cyclohexadiene-1,4-dione
(9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoic acid
A trienoic fatty acid, that is octadecanoic acid containing double bonds at positions 9, 12 and 15 and a triple bond at position 6. Isolated from Dicranum scoparium, it exhibits antibacterial activity and inhibitory activity against arachidonate 15-lipoxygenase.
2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
6-(3-heptyloxiran-2-yl)-1-(oxiran-2-yl)hexa-2,4-diyn-1-one
exo-(-)-cinmethylin
A 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane that is the exo-(-)-isomer of cinmethylin.
1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
An oxabicycloalkane that is 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol in which the hydroxy group is substituted by a (2-methylphenyl)methoxy group.
exo-(+)-cinmethylin
A 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane that is the exo-(+)-isomer of cinmethylin.
4-O-methylnorbelladine(1+)
An organic cation obtained by protonation of the secondary amino group of 4-O-methylnorbelladine; major species at pH 7.3.
N-(indole-3-acetyl)valine
An indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of valine.
(2z)-2-[(4-methylfuran-2-yl)methylidene]-6-methylideneoct-7-en-1-yl acetate
(1r)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,17,19-heptaene
9,10,13-trimethyl-3-oxatricyclo[7.2.2.0²,⁶]trideca-2(6),4,10-trien-8-yl acetate
2-[(2s)-5,8-dimethyl-4-oxo-2,3-dihydro-1h-naphthalen-2-yl]propan-2-yl acetate
(8r)-3,6,10-trimethyl-4h,7h,8h,11h-cyclodeca[b]furan-8-yl acetate
2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
2-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-6-methoxycyclohexa-2,5-diene-1,4-dione
(4e,6s,8e)-12-methoxy-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(14),4,8,11(15),12-pentaen-6-ol
8-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-6-methylocta-3,5,7-trien-2-one
(4as,8r,8ar)-3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h-naphtho[2,3-b]furan-8-yl acetate
(3r)-5-hydroxy-3-(3-hydroxypropyl)-1-methyl-6-(phenylmethylidene)-3h-pyrazin-2-one
(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxyoctylidene]amino}-3-methylbutanoic acid
(1z)-2-[(2s,3s)-3-hydroxy-1-methoxybutan-2-yl]-1-[(1e)-3-hydroxyoct-1-en-1-yl]diazen-1-ium-1-olate
(4as,7s,8ar)-6,9,9-trimethyl-4h,4ah,7h,8h,8ah-naphtho[2,3-b]furan-7-yl acetate
(2s,3s,3'ar)-3',3',6'-trimethyl-4',5'-dihydro-2h,3'ah-spiro[furan-3,2'-inden]-2-yl acetate
5-isopropyl-3,8-dimethyl-6-oxo-7,8-dihydro-5h-naphthalen-2-yl acetate
(2s,4as,10ar)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
3-(1-hydroxyethyl)-6-(3-methylbut-2-en-1-yl)-1,3-dihydro-2-benzoxepin-9-ol
4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxybenzaldehyde
13-hydroxypentadeca-7,14-dien-9,11-diyn-6-yl acetate
6,9,9-trimethyl-4h,4ah,7h,8h,8ah-naphtho[2,3-b]furan-7-yl acetate
2,5-bis(1-methyl-1-silacyclobutyl)-p-xylene
{"Ingredient_id": "HBIN004604","Ingredient_name": "2,5-bis(1-methyl-1-silacyclobutyl)-p-xylene","Alias": "NA","Ingredient_formula": "C16H26Si2","Ingredient_Smile": "CC1=CC(=C(C=C1[Si]2(CCC2)C)C)[Si]3(CCC3)C","Ingredient_weight": "274.55 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40861","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "612795","DrugBank_id": "NA"}
2-acetoxyfuranodiene
{"Ingredient_id": "HBIN005113","Ingredient_name": "2-acetoxyfuranodiene","Alias": "NA","Ingredient_formula": "C17H22O3","Ingredient_Smile": "CC1=CCC2=C(CC(=CCC1)C)OC(=C2C)OC(=O)C","Ingredient_weight": "274.35 g/mol","OB_score": "44.74453509","CAS_id": "NA","SymMap_id": "SMIT03627","TCMID_id": "NA","TCMSP_id": "MOL001159","TCM_ID_id": "NA","PubChem_id": "91748044","DrugBank_id": "NA"}
3β,12-dihydroxy-13-methyl-8,10,13-podo-carpanetriene
{"Ingredient_id": "HBIN008011","Ingredient_name": "3\u03b2,12-dihydroxy-13-methyl-8,10,13-podo-carpanetriene","Alias": "NA","Ingredient_formula": "C18H26O2","Ingredient_Smile": "CC1=C(C=C2C(=C1)CCC3C2(CCC(C3(C)C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6042","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β-acetoxyatractylone
{"Ingredient_id": "HBIN008151","Ingredient_name": "3\u03b2-acetoxyatractylone","Alias": "NA","Ingredient_formula": "C17H22O3","Ingredient_Smile": "NA","Ingredient_weight": "274.35","OB_score": "54.06671707","CAS_id": "61206-10-8","SymMap_id": "SMIT01158","TCMID_id": "NA","TCMSP_id": "MOL000049;MOL000188","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8,12-epoxy-1(10),4,7,11-germacratetraen-15-ol; (1(10)e,4z)-form,ac
{"Ingredient_id": "HBIN013540","Ingredient_name": "8,12-epoxy-1(10),4,7,11-germacratetraen-15-ol; (1(10)e,4z)-form,ac","Alias": "NA","Ingredient_formula": "C17H22O3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7398","PubChem_id": "NA","DrugBank_id": "NA"}
