Exact Mass: 204.136152
Exact Mass Matches: 204.136152
Found 500 metabolites which its exact mass value is equals to given mass value 204.136152,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bufotenin
C12H16N2O (204.12625659999998)
A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic. Bufotenin (5-OH-DMT), is a tryptamine related to the neurotransmitter serotonin. It is an alkaloid found in the skin of some species of toads; in mushrooms, higher plants, and mammals. Bufotenin is a chemical constituent in the venom and eggs of several species of toads belonging to the Bufo genus, but most notably in the Colorado River toad (Bufo alvarius) as it is the only toad species in which bufotenin is present in large enough quantities for a psychoactive effect. Extracts of toad venom, containing bufotenin and other bioactive compounds, have been used in some traditional medicines (probably derived from Bufo gargarizans), which has been used medicinally for centuries in China. Bufotenin is a constituent of the seeds of Anadenanthera colubrina and Anadenanthera peregrina trees. Anadenanthera seeds have been used as an ingredient in psychedelic snuff preparations by indigenous cultures of the Caribbean, Central and South America. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
Psilocin
C12H16N2O (204.12625659999998)
Psilocin (4-OH-DMT), an aromatic compound, sometimes also spelled psilocine, psilocyn, or psilotsin, is a psychedelic mushroom alkaloid. It is found in most psychedelic mushrooms together with its phosphorylated counterpart psilocybin. Psilocin is a Schedule I drug under the Convention on Psychotropic Substances. The mind-altering effects of psilocin are highly variable and subjective, but resemble those caused by LSD and mescaline. The effects typically last anywhere from three to eight hours depending on certain variables (such as metabolism, food interaction); however the effects can seem to last much longer due to psilocins ability to distort the perception of time. Sulfur analogs are known with a benzothienyl replacement as well as 4-SH-DMT. N1-methylpsilocin is a functionally 5-HT2C receptor preferring agonists. 4-fluoro-N,N-dimethyltryptamine is known. O-Acetylpsilocin is an acetylized analog of psilocin, also known as 4-AcO-DMT. Additionally, substitution of a methyl group at the dimethylated nitrogen with an isopropyl or ethyl group yields 4-HO-MIPT (4-Hydroxy-N-Methyl-N-Isopropyltryptamine) and 4-HO-MET (4-Hydroxy-N-Methyl-N-Ethyltryptamine), respectively. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens
Acetylcarnitine
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A143; [MS2] KO009087 KEIO_ID A143
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is found in root vegetables. 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is a constituent of roots of Polymnia sonchifolia (yacon)
Triethylenemelamine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Caulophylline
C12H16N2O (204.12625659999998)
N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2].
Plastoquinone
Plastoquinone is a member of the class of compounds known as prenylquinones. Prenylquinones are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain. Plastoquinone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Plastoquinone can be found in barley, which makes plastoquinone a potential biomarker for the consumption of this food product. Plastoquinone (PQ) is an isoprenoid quinone molecule involved in the electron transport chain in the light-dependent reactions of photosynthesis. The most common form of plastoquinone, known as PQ-A or PQ-9, is a 2,3-dimethyl-1,4-benzoquinone molecule with a side chain of nine isoprenyl units. There are other forms of plastoquinone, such as ones with shorter side chains like PQ-3 (which has 3 isoprenyl side units instead of 9) as well as analogs such as PQ-B, PQ-C, and PQ-D, which differ in their side chains. The benzoquinone and isoprenyl units are both nonpolar, anchoring the molecule within the inner section of a lipid bilayer, where the hydrophobic tails are usually found .
2-Phenylethyl 3-methyl-2-butenoate
2-Phenylethyl 3-methyl-2-butenoate is a food flavour.
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol
(1S*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol is found in fats and oils. (1S*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol is a constituent of fruit of Carum carvi (caraway).
N6-Acetyl-5S-hydroxy-L-lysine
N6-Acetyl-5S-hydroxy-L-lysine is found in root vegetables. N6-Acetyl-5S-hydroxy-L-lysine is produced by Beta vulgaris (sugar beet). Production by Beta vulgaris (sugar beet). N6-Acetyl-5S-hydroxy-L-lysine is found in root vegetables.
3,7-Dimethyl-3-octene-1,2,6,7-tetrol
3,7-Dimethyl-3-octene-1,2,6,7-tetrol is found in fruits. 3,7-Dimethyl-3-octene-1,2,6,7-tetrol is a constituent of Passiflora quadrangularis (giant grandilla) Constituent of Passiflora quadrangularis (giant grandilla). 3,7-Dimethyl-3-octene-1,2,6,7-tetrol is found in fruits.
(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol
(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol is found in herbs and spices. (2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). (2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol is found in herbs and spices.
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is found in fats and oils. 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is a constituent of Helianthus annuus (sunflower)
3-Isovalidene-3alpha,4-dihydrophthalide
3-Isovalidene-3alpha,4-dihydrophthalide is found in green vegetables. 3-Isovalidene-3alpha,4-dihydrophthalide is a odorous constituent of celery stem and leaf (Apium graveolens Odorous constituent of celery stem and leaf (Apium graveolens). 3-Isovalidene-3alpha,4-dihydrophthalide is found in wild celery and green vegetables.
(6R,7S)-6,7-Epoxy-1,3-tetradecadiyne
(6R,7S)-6,7-Epoxy-1,3-tetradecadiyne is found in tea. (6R,7S)-6,7-Epoxy-1,3-tetradecadiyne is a constituent of Panax quinquefolium (American ginseng)
3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide
3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide is found in fruits. 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide is an alkaloid from Morus alba (white mulberry). Alkaloid from Morus alba (white mulberry). 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide is found in fruits.
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol is found in herbs and spices. (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol is found in herbs and spices.
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol is found in herbs and spices. (1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol is found in herbs and spices.
cis-3-Hexenyl benzoate
cis-3-Hexenyl benzoate is found in fruits. cis-3-Hexenyl benzoate is a constituent of black tea aroma. Also present in bilberry, lingon berry, cowberry and feijoa fruit and peel. cis-3-Hexenyl benzoate is a flavouring agent. Constituent of black tea aromaand is also present in bilberry, lingon berry, cowberry and feijoa fruit and peel. Flavouring agent. cis-3-Hexenyl benzoate is found in tea and fruits.
Serylvaline
Serylvaline is a dipeptide composed of serine and valine. 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.
Valylserine
Valylserine is a dipeptide composed of valine and serine. 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.
Butyl cinnamate
Butyl cinnamate is a flavouring ingredient. Flavouring ingredient
Phenethyl tiglate
Phenethyl tiglate is a flavouring ingredient. Flavouring ingredient
alpha,alpha-Dimethylanisalacetone
alpha,alpha-Dimethylanisalacetone is a flavouring ingredien Flavouring ingredient
Hexyl 3-mercaptobutanoate
C10H20O2S (204.11839400000002)
Hexyl 3-mercaptobutanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2-Benzylidene-1-heptanol
2-Benzylidene-1-heptanol is a flavouring ingredien Flavouring ingredient
Benzyl 2,3-dimethyl-2-butenoate
Benzyl 2,3-dimethyl-2-butenoate is a flavouring agent Flavouring agent
Isobutyl cinnamate
Isobutyl cinnamate is a flavouring ingredient. Flavouring ingredient
(S)-3-Mercaptohexyl butyrate
C10H20O2S (204.11839400000002)
(S)-3-Mercaptohexyl butyrate is found in fruits. (S)-3-Mercaptohexyl butyrate is isolated from yellow passion fruit (Passiflora edulis). (S)-3-Mercaptohexyl butyrate is a flavouring ingredient. Isolated from yellow passion fruit (Passiflora edulis). Flavouring ingredient. (S)-3-Mercaptohexyl butyrate is found in fruits.
3-Mercaptohexyl butyrate
C10H20O2S (204.11839400000002)
3-Mercaptohexyl butyrate is a flavouring agent. Flavouring agent
Cinnamyl butyrate
Cinnamyl butyrate is found in pomes. Cinnamyl butyrate is used in orange and citrus food flavouring. Cinnamyl butyrate is present in apple. Cinnamyl butyrate is used in orange and citrus food flavouring. It is found in apple.
Cinnamyl isobutyrate
Cinnamyl isobutyrate is used in food flavouring. It is used in food flavouring
3-Benzyl-4-heptanone
3-Benzyl-4-heptanone is used in food flavouring (plum/peach). It is used in food flavouring (plum/peach)
N6-Carboxymethyllysine
N6-Carboxymethyllysine (CML), also known as epsilon-(carboxymethyl)lysine, belongs to the class of organic compounds known as L-alpha-amino acids. These are alpha-amino acids which have the L-configuration of the alpha-carbon atom. CML is a Maillard reaction product, or dietary advanced glycation end-products (d-AGE), formed as a result of the thermal treatment of foods. Due to its chemical stability and its ubiquity in foods and in vivo, CML is used as a biomarker for the ingestion of thermally treated foods. CML is metabolized by intestinal bacteria under anaerobic conditions (PMID: 31091091).
N-(3-Amino-2-hydroxy-3-oxopropyl)-L-valine
1-Hydroxycyclohexyl phenyl ketone
D009676 - Noxae > D009153 - Mutagens
Nebracetam
C12H16N2O (204.12625659999998)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs C26170 - Protective Agent > C1509 - Neuroprotective Agent
[(2S)-6-Amino-1-methoxy-1-oxohexan-2-yl]carbamic acid
(+)-gamma-Hydroxy-L-homoarginine
(+)-gamma-hydroxy-l-homoarginine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom (+)-gamma-hydroxy-l-homoarginine is soluble (in water) and a moderately acidic compound (based on its pKa). (+)-gamma-hydroxy-l-homoarginine can be found in common pea and lentils, which makes (+)-gamma-hydroxy-l-homoarginine a potential biomarker for the consumption of these food products.
(Z)-3-Hexenylbenzoate
(z)-3-hexenylbenzoate is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid (z)-3-hexenylbenzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (z)-3-hexenylbenzoate can be found in safflower, which makes (z)-3-hexenylbenzoate a potential biomarker for the consumption of this food product.
4-(3-Methyl-2-butenoxy)-acetophenone
4-(3-methyl-2-butenoxy)-acetophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 4-(3-methyl-2-butenoxy)-acetophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4-(3-methyl-2-butenoxy)-acetophenone can be found in lemon, which makes 4-(3-methyl-2-butenoxy)-acetophenone a potential biomarker for the consumption of this food product.
Validene 4,5-dihydrophthalide
Validene 4,5-dihydrophthalide is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Validene 4,5-dihydrophthalide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Validene 4,5-dihydrophthalide can be found in lovage, which makes validene 4,5-dihydrophthalide a potential biomarker for the consumption of this food product.
Caulophyllin
C12H16N2O (204.12625659999998)
N-Methylcytisine is a natural product found in Thermopsis lanceolata, Sophora chrysophylla, and other organisms with data available. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2].
(+)-Chamecynenol
5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol
a-Hydroxycyclohexylphenylketone
D009676 - Noxae > D009153 - Mutagens
(E)-5-(2,3-dimethyl-3-nortricyclyl)pent-3-en-2-one|1,7-Dimethyl-7-(1-pent-2-en-4-onyl)nortricyclen
(2R)-2,3-dihydro-6-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one|(2R)-norpterosin B
(E)-Hydronperoxide-1,5-Tridecadiene-7,9-diyn-4-ol|trans-Trideca-1,5-dien-7,9-diin-4-hydroperoxid
rel-(1R,2R,3R,4S,6S)-p-menthane-1,2,3,6-tetrol|rel-(1R,2S,3S,4S,5R)-2-methyl-5-(1-methylethyl)-cyclohexane-1,2,3,4-tetrol
1-[4-hydroxy-3-(3-methyl-1-butenyl)phenyl]ethanone
(1S,2R,5S)-2,5-dihydroxymethyl-2-hydroxyethylcyclohexanol
(E)-4-(1-propen-1-yl)phenyl isobutyrate|4-(prop-(1E)-enyl)phenyl isobutyrate|Anethol-isobutyrate
alpha,alpha-Dimethylbenzenepropanoic acid ethenyl ester
(rel-1R,2R,3R,4S,5S)-4-isopropyl-1-methylcyclohexane-1,2,3,5-tetrol|rel-(1R,2R,3R,4S,5S)-p-menthane-1,2,3,5-tetrol
alpha-D-gluco-4-acetylamino-2-amino-2,4,6-trideoxy-hexopyranose; hydrochloride|alpha-D-gluco-4-Acetylamino-2-amino-2,4,6-tridesoxy-hexopyranose; Hydrochlorid
(E)-4-(3-octenyl)phenol|E-4-(3-octenyl)phenol|gibbilimbol D
(1S,9S)-11-methyl-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one
C12H16N2O (204.12625659999998)
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.084 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.090
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
1COOH-2But-A7EO1
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
MAHMA NONOate
C8H20N4O2 (204.15861800000002)
Ser-val
A dipeptide formed from L-serine and L-valine residues.
Val-ser
A dipeptide formed from L-valine and L-serine residues.
3-Isovalidene-3a,4-dihydrophthalide
3S-Mercaptohexyl butyrate
C10H20O2S (204.11839400000002)
5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohexane-1,3-diol
3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide
methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate
C9H20O3Si (204.11816500000003)
1-(4-phenylpiperazin-1-yl)ethanone
C12H16N2O (204.12625659999998)
1-(3,5-dimethylphenyl)piperazin-2-one
C12H16N2O (204.12625659999998)
(3-AMINO-PHENYL)-PIPERIDIN-1-YL-METHANONE
C12H16N2O (204.12625659999998)
4-CHLORO-5-IODO-6-METHYL-2-PYRIMIDINAMINE
C12H16N2O (204.12625659999998)
tert-butyl 3-(aminomethyl)-3-fluoroazetidine-1-carboxylate
Carbamic acid, [2-[(2-hydroxyethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI)
1-(2,3-DIHYDROBENZOFURAN-4-YL)PIPERAZINE
C12H16N2O (204.12625659999998)
2-[(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YLOXY)METHYL]OXIRANE
3-[2-Methyl-4-(2-methyl-2-propanyl)phenyl]propanal
3-[3-Methyl-5-(2-methyl-2-propanyl)phenyl]propanal
3-[2-Methyl-5-(2-methyl-2-propanyl)phenyl]propanal
(R)-1-AMINO-3-(9H-CARBAZOL-4-YLOXY)-2-PROPANOL
C12H16N2O (204.12625659999998)
3-(n-(2-hydroxyethyl)-m-toluidino)propionitrile
C12H16N2O (204.12625659999998)
6-(PIPERIDIN-1-YLMETHYL)PICOLINALDEHYDE
C12H16N2O (204.12625659999998)
3-[3-(dimethylamino)propoxy]benzonitrile
C12H16N2O (204.12625659999998)
1-(3-DIMETHYLAMINO-PROPYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
C12H16N2O (204.12625659999998)
1-(4-piperazin-1-ylphenyl)ethanone
C12H16N2O (204.12625659999998)
1,2,3,4-Tetrahydro-1,4-methanonaphthalene-2,3-dimethanol
6-amino-1,4,4-trimethyl-3H-quinolin-2-one
C12H16N2O (204.12625659999998)
(4-AMINO-PHENYL)-MORPHOLIN-4-YL-METHANONE
C12H16N2O (204.12625659999998)
PIPERIDINE-3-CARBOXYLIC ACID PHENYLAMIDE
C12H16N2O (204.12625659999998)
(3S,4S)-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
(S)-TERT-BUTYL1-(HYDROXYAMINO)-3-(4-BROMOPHENYL)-1-OXOPROPAN-2-YLCARBAMATE
4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane
C12H17BO2 (204.13215320000003)
(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
3-[2-(Dimethylamino)ethyl]-1H-indol-6-ol
C12H16N2O (204.12625659999998)
1-BENZYL-PYRROLIDINE-3-CARBOXYLIC ACID AMIDE
C12H16N2O (204.12625659999998)
3-(4-Methylpiperazin-1-yl)benzaldehyde
C12H16N2O (204.12625659999998)
(3S,4R)-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
N-(4-(Pyrrolidin-1-yl)phenyl)acetamide
C12H16N2O (204.12625659999998)
1-(8-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
C12H16N2O (204.12625659999998)
2-(Piperidin-1-yl-carbonyl)-aniline
C12H16N2O (204.12625659999998)
2-[3-(dimethylamino)propoxy]benzonitrile
C12H16N2O (204.12625659999998)
4-[3-(dimethylamino)propoxy]benzonitrile
C12H16N2O (204.12625659999998)
1H-2-Benzopyran-1-one,4,4-diethyl-3,4-dihydro-(9CI)
6-METHOXY-1-VINYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
(R)-1-BENZYL-3-N-BOC-AMINOMETHYLPYRROLIDINE
C12H16N2O (204.12625659999998)
4-Methylbenzeneboronic acid neopentyl glycol ester
C12H17BO2 (204.13215320000003)
4,4,6-trimethyl-2-phenyl-1,3,2-dioxaborinane
C12H17BO2 (204.13215320000003)
(4-aminomethyl-phenyl)-pyrrolidin-1-yl-methanone
C12H16N2O (204.12625659999998)
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
C12H16N2O (204.12625659999998)
Benzene,1-(1,1-dimethylethyl)-4-[(2-methyl-2-propen-1-yl)oxy]-
1-(2-METHYL-2-PHENYLPROPYL)HYDRAZINE
C12H16N2O (204.12625659999998)
2-Propenoic acid,3-phenyl-, 1,1-dimethylethyl ester
(3-METHYL-5-PHENYL-4-ISOXAZOLYL)METHANOL
C12H16N2O (204.12625659999998)
2-Ethyl-1-(2-methoxyethyl)-1H-benzimidazole
C12H16N2O (204.12625659999998)
1H-Benzimidazole,5-ethoxy-1-ethyl-2-methyl-(9CI)
C12H16N2O (204.12625659999998)
2-(2-(1H-Indol-3-yl)ethylamino)ethanol
C12H16N2O (204.12625659999998)
5-Amino-3-cyclohexyl-1-methyl-1H-pyrazole-4-carbonitrile
4-TERT-BUTOCYCARBONYLAMINO CYCLOHEXANE CARBOXYLIC ACID METHYL ESTER
C12H16N2O (204.12625659999998)
N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
C12H16N2O (204.12625659999998)
(R)-2-HYDROXYMETHYLMORPHOLINE-4-CARBOXYLICACIDTERT-BUTYLESTER
C12H16N2O (204.12625659999998)
1-(4-methoxy-1h-indol-3-yl)-n,n-dimethylmethanamine
C12H16N2O (204.12625659999998)
1-(6-amino-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
C12H16N2O (204.12625659999998)
Cis-tert-butyl3-amino-4-fluoropyrrolidine-1-carboxylate
1,2-Cyclobutanedimethanol,3,3-diethoxy-,trans-(9CI)
2-(4-Methyl-1-piperazinyl)benzaldehyde
C12H16N2O (204.12625659999998)
Ethanone,1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-
3-(1-ETHYL-1H-BENZIMIDAZOL-2-YL)PROPAN-1-OL
C12H16N2O (204.12625659999998)
3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID
C12H16N2O (204.12625659999998)
1H-Benzimidazole,5-ethoxy-2-propyl-(9CI)
C12H16N2O (204.12625659999998)
1-(3-ACETYL-2-HYDROXY-5-METHYL-PHENYL)-ETHANONE
C12H16N2O (204.12625659999998)
1H-2-Benzopyran,3,4-dihydro-1,1,4,4,7-pentamethyl-(9CI)
1h-indene-1-acetic acid, 2,3-dihydro-, ethyl ester
4-(4-Methylpiperazin-1-yl)benzaldehyde
C12H16N2O (204.12625659999998)
2-(5,6-dimethyl-1H-benzoimidazol-2-yl)propan-2-ol
C12H16N2O (204.12625659999998)
1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt
4,7,8-Trimethyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
C12H16N2O (204.12625659999998)
1-[(4-Methylphenyl)methyl]-1,3-diazinan-2-one
C12H16N2O (204.12625659999998)
2-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanamine
C12H16N2O (204.12625659999998)
Butanoic acid, 3-trimethylsilyloxy-, ethyl ester
C9H20O3Si (204.11816500000003)
1,2-Dioxetane, 3,4,4-trimethyl-3-[[(trimethylsilyl)oxy]methyl]-
C9H20O3Si (204.11816500000003)
(2r,3r,4s,5r)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidine
(+)-gamma-Hydroxy-L-homoarginine
(+)-gamma-hydroxy-l-homoarginine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom (+)-gamma-hydroxy-l-homoarginine is soluble (in water) and a moderately acidic compound (based on its pKa). (+)-gamma-hydroxy-l-homoarginine can be found in common pea and lentils, which makes (+)-gamma-hydroxy-l-homoarginine a potential biomarker for the consumption of these food products.
(2S)-6-[acetyl(hydroxy)amino]-2-azaniumylhexanoate
L-tryptophanamide(1+)
The conjugate acid of L-tryptophanamide arising from protonation of the alpha-amino group; major species at pH 7.3.
[(2S)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
N-(3-methylphenyl)cyclobutanecarbohydrazide
C12H16N2O (204.12625659999998)
(1S,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
C12H16N2O (204.12625659999998)
6-[(4-Aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium
(4aR,7R,7aS)-7,7a-dimethyl-5,6,7,8-tetrahydro-4aH-cyclopenta[f][1]benzofuran-4-one
(3R)-3,10-dihydroxydecanoic acid
A dihydroxy monocarboxylic acid that is 10-hydroxydecanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group.
[(1R,2aS,8bS)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
C12H16N2O (204.12625659999998)
[(1R,2aR,8bR)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
C12H16N2O (204.12625659999998)
[(1S,2aS,8bS)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
C12H16N2O (204.12625659999998)
(3R,9R)-3,9-dihydroxydecanoic acid
An (omega-1)-hydroxy fatty acid that is (9R)-9-hydroxydecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group.
[(2R)-3-carboxy-2-(2,2,2-trideuterioacetyl)oxypropyl]-trimethylazanium
(3R)-1-(5-aminopentylamino)-3,4-dihydroxybutan-2-one
Butyl 2-(trimethylsilyloxy)acetate
C9H20O3Si (204.11816500000003)
2-Hydroxyisocaproic acid, TMS derivative
C9H20O3Si (204.11816500000003)
1-Isobutyl-9-methylbicyclo(3.2.2)nona-3,6-dien-2-one
tretamine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
PSILOCIN
C12H16N2O (204.12625659999998)
A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional hydroxy substituent at position 4. A hallucinogenic alkaloid isolated in trace amounts from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms"). D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens
bufotenin
C12H16N2O (204.12625659999998)
A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
4-(1,2-dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol
Gly-Lys(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Gly-Lys; major species at pH 7.3.
norpinguisone
A natural product found particularly in Porella chilensis and Porella navicularis.
Lys-Gly(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-Gly; major species at pH 7.3.
Cipepofol
Cipepofol (Ciprofol), a novel 2,6-disubstituted phenol derivative, is a positive allosteric modulator and direct agonist of the GABAA receptor. Cipepofol can cause the central nerve inhibition and promote sleep based on the structural modification of Propofol (HY-B0649). Cipepofol can activate the sirtuin1 (Sirt1)/Nrf2 pathway. Cipepofol protects the heart against Isoproterenol (ISO; HY-B0468)-induced myocardial infarction by reducing cardiac oxidative stress, inflammatory response and cardiomyocyte apoptosis[1][2]. Cipepofol (Ciprofol), a novel 2,6-disubstituted phenol derivative, is a positive allosteric modulator and direct agonist of the GABAA receptor. Cipepofol can cause the central nerve inhibition and promote sleep based on the structural modification of Propofol (HY-B0649). Cipepofol can activate the sirtuin1 (Sirt1)/Nrf2 pathway. Cipepofol protects the heart against Isoproterenol (ISO; HY-B0468)-induced myocardial infarction by reducing cardiac oxidative stress, inflammatory response and cardiomyocyte apoptosis[1][2].
(4as,7s,7ar)-7,7a-dimethyl-4ah,5h,6h,7h,8h-indeno[5,6-b]furan-4-one
4a,8,8-trimethyl-1h,1ah,5h,6h,7h-cyclopropa[e]naphthalen-2-one
(1r,9r)-11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
C12H16N2O (204.12625659999998)
(1s,2s,3s,4r,5r)-4-isopropyl-1-methylcyclohexane-1,2,3,5-tetrol
1-[4-hydroxy-3-(3-methylbut-1-en-1-yl)phenyl]ethanone
5-methylidene-3-(propan-2-ylidene)-hexahydro-1h-naphthalen-2-one
(1r,2s,4r,8r)-p-menthane-1,2,8,9-tetrol
{"Ingredient_id": "HBIN003080","Ingredient_name": "(1r,2s,4r,8r)-p-menthane-1,2,8,9-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "CC1(CCC(CC1O)C(C)(CO)O)O","Ingredient_weight": "204.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13725","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "92467558","DrugBank_id": "NA"}
(1s,2s,4r,8s)-p-menthane-1,2,8,9-tetrol
{"Ingredient_id": "HBIN003229","Ingredient_name": "(1s,2s,4r,8s)-p-menthane-1,2,8,9-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "CC1(CCC(CC1O)C(C)(CO)O)O","Ingredient_weight": "204.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13728","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11074485","DrugBank_id": "NA"}
2,5-dimethyl-4-Methoxyphenanthrene
{"Ingredient_id": "HBIN004652","Ingredient_name": "2,5-dimethyl-4-Methoxyphenanthrene","Alias": "NA","Ingredient_formula": "C9H18NO4+","Ingredient_Smile": "CC(=O)OC(CC(=O)O)C[N+](C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42556","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hexenyl benzoate
{"Ingredient_id": "HBIN005685","Ingredient_name": "2-hexenyl benzoate","Alias": "NA","Ingredient_formula": "C13H16O2","Ingredient_Smile": "CCCC=CCOC(=O)C1=CC=CC=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9525","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol
{"Ingredient_id": "HBIN007809","Ingredient_name": "3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "CC(C)(C(CCC(=C)C(CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15171","TCMID_id": "6386","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4βh-cis-p-menthane-2α,6α,8,9-tetrol
{"Ingredient_id": "HBIN010268","Ingredient_name": "4\u03b2h-cis-p-menthane-2\u03b1,6\u03b1,8,9-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13723","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,4s)-2-amino-6-carbamimidamido-4-hydroxyhexanoic acid
1-{4-hydroxy-3-[(1e)-3-methylbut-1-en-1-yl]phenyl}ethanone
(3e)-5-[(1r,2s,3r,4r,6s)-2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl]pent-3-en-2-one
(5s)-5-isopropyl-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
(1ar,4as,8as)-4a,8,8-trimethyl-1h,1ah,5h,6h,7h-cyclopropa[e]naphthalen-2-one
6-methyl-2-(prop-1-en-1-yl)-3,4-dihydro-2h-1-benzopyran-4-ol
2-(3-isopropyl-4-methylpent-3-en-1-yn-1-yl)-2-methylcyclobutan-1-one
(4ar,8ar)-5-methylidene-3-(propan-2-ylidene)-hexahydro-1h-naphthalen-2-one
(2r,4r)-2-amino-6-carbamimidamido-4-hydroxyhexanoic acid
(1s,2r,3r,4r,5s)-5-isopropyl-2-methylcyclohexane-1,2,3,4-tetrol
(1s,9s)-11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
C12H16N2O (204.12625659999998)
(3s,4s,5e,11e)-trideca-5,11-dien-7,9-diyne-3,4-diol
(1r,9s)-11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
C12H16N2O (204.12625659999998)
(1r,2r,3r,4s)-1-isopropyl-4-methylcyclohexane-1,2,3,4-tetrol
(1s,2r,5s)-2-(2-hydroxyethyl)-2,5-bis(hydroxymethyl)cyclohexan-1-ol
(1s,2s,3s,4r)-1-isopropyl-4-methylcyclohexane-1,2,3,4-tetrol
(1s,2r,3s,4r,5r)-5-isopropyl-2-methylcyclohexane-1,2,3,4-tetrol
(2s,6r)-7-methyl-3-methylideneoctane-1,2,6,7-tetrol
[(7-methoxy-1h-indol-3-yl)methyl]dimethylamine
C12H16N2O (204.12625659999998)
1-[(2r)-2-isopropyl-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-methyl-4-(prop-1-en-2-yl)spiro[4.5]dec-6-en-8-one
(1r,8r)-6,6-dimethyl-7-methylidenetricyclo[6.2.1.0¹,⁵]undecan-2-one
(3e)-5-[(1r,2s,3s,4r,6s)-2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl]pent-3-en-2-one
(1r,4s,5r)-1-methyl-4-(prop-1-en-2-yl)spiro[4.5]dec-6-en-8-one
5-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}pent-3-en-2-one
(2e,4e,6s,7z)-2,6,10-trimethylundeca-2,4,7,9-tetraenal
(1r,2r,4s)-4-[(2s)-1,2-dihydroxypropan-2-yl]-1-methylcyclohexane-1,2-diol
(1s,9r)-11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
C12H16N2O (204.12625659999998)