Exact Mass: 252.1333
Exact Mass Matches: 252.1333
Found 500 metabolites which its exact mass value is equals to given mass value 252.1333,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cimetidine
A histamine congener, it competitively inhibits histamine binding to histamine H2 receptors. Cimetidine has a range of pharmacological actions. It inhibits gastric acid secretion, as well as pepsin and gastrins output. It also blocks the activity of cytochrome P-450 which might explain proposals for use in neoadjuvant therapy. [PubChem] A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3722 KEIO_ID C208; [MS2] KO008913 KEIO_ID C208 Cimetidine (SKF-92334) is an orally active and inverse histamine H2 receptor antagonist with a Ki of 0.6 μM. Cimetidine is a gastric acid reducer, and can be used for duodenal and gastric ulcers research. Cimetidine has anti-cancer and anti-inflammatory activity[1][2][5].
cis-Hinokiresinol
cis-Hinokiresinol, a type of lignan, is a natural compound found in various plants, particularly conifers like cypress. Lignans, including cis-Hinokiresinol, have garnered significant interest in the field of pharmacology and nutrition due to their diverse biological functions: 1. **Antioxidant Activity**: cis-Hinokiresinol exhibits antioxidant properties, which means it can help neutralize harmful free radicals in the body. This activity is important for protecting cells from oxidative stress, which is associated with aging and various diseases. 2. **Anti-Inflammatory Effects**: The compound has been found to possess anti-inflammatory properties. Chronic inflammation is linked to numerous diseases, including heart disease, cancer, and autoimmune disorders. By reducing inflammation, cis-Hinokiresinol may contribute to the prevention or treatment of these conditions. 3. **Anticancer Potential**: Some studies suggest that lignans, including cis-Hinokiresinol, may have anti-cancer properties. They may influence cancer cell growth, apoptosis (cell death), and angiogenesis (formation of new blood vessels in tumors). However, more research is needed to fully understand these effects. 4. **Estrogenic and Anti-Estrogenic Activities**: cis-Hinokiresinol and other lignans can bind to estrogen receptors in the body, exhibiting both estrogenic and anti-estrogenic effects. This dual activity might be beneficial in conditions where estrogen balance is crucial, such as in hormone-related cancers. 5. **Prebiotic Effects**: In the gut, lignans can be metabolized by gut bacteria into compounds with estrogenic or anti-estrogenic properties. This transformation contributes to the overall hormonal balance in the body and may have implications for health.
2-Phenylethyl 3-phenyl-2-propenoate
2-Phenylethyl 3-phenyl-2-propenoate is a food flavour. It is isolated from the buds of Populus balsamifera (balsam poplar Food flavour. Isolated from the buds of Populus balsamifera (balsam poplar)
2,3-Butanediol glucoside
2,3-Butanediol glucoside is found in herbs and spices. 2,3-Butanediol glucoside is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). 2,3-Butanediol glucoside is found in herbs and spices.
3alpha-Hydroxyoreadone
3alpha-Hydroxyoreadone is found in mushrooms. 3alpha-Hydroxyoreadone is a metabolite of Marasmius oreades (fairy ring mushroom Metabolite of Marasmius oreades (fairy ring mushroom). 3alpha-Hydroxyoreadone is found in mushrooms.
Prolyl-Histidine
Prolyl-Histidine is a dipeptide composed of proline and histidine. 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.
Talbutal
Talbutal is only found in individuals that have used or taken this drug. It is a barbiturate with a short to intermediate duration of action. Talbutal is a schedule III drug in the U.S.Talbutal binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.
Histidylproline
Histidylproline is a dipeptide composed of histidine and proline. 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.
2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione
2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione is found in tea. 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione is a constituent of the essential oil of Leptospermum scoparium (red tea). Constituent of the essential oil of Leptospermum scoparium (red tea). 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione is found in tea.
(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene
(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene is found in herbs and spices. (1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene is a constituent of Alpinia galanga (greater galangal) rhizomes. Constituent of Alpinia galanga (greater galangal) rhizomes. (1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene is found in herbs and spices.
Cinnamyl phenylacetate
Cinnamyl phenylacetate is a flavouring ingredient. Flavouring ingredient
QH(2)
Qh(2) is part of the Oxidative phosphorylation, Cardiac muscle contraction, Alzheimers disease, Parkinsons disease, and Huntingtons disease pathways. It is a substrate for: Cytochrome b-c1 complex subunit Rieske, mitochondrial.
1-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1h-pyrrole-2,5-dione
Sch 642305
A macrocyclic lactone isolated from the fermentation broth of the fungal culture Penicillium verrucosum and has been shown to exhibit inhibitory activity against bacterial DNA primase enzyme.
Jasomontanone
[1S-(1a,2b,5a,6a)]-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene-2,6-diol diacetate
1-Ethoxy-6-hydroxy-8-methoxy-3,5-dimethylisochroman
Aspergillide C
A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadeca-9,12-dien-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1S,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).
1-Methyl-2-benzyl-1,2,3,4-tetrahydroquinazoline-4-one
Effusol
Effusol is a natural product found in Juncus setchuensis, Juncus effusus, and Juncus acutus with data available. Effusol, a phenolic constituent from Juncus effuses, exhibits potent scavenging activity for DPPH and ABTS radicals, with IC50 values of 79 μM and 2.73 μM, respectively. Effusol rescues CA1 LTP attenuated by corticosterone, defending the hippocampal function against stress-induced cognitive decline[1]. Effusol, a phenolic constituent from Juncus effuses, exhibits potent scavenging activity for DPPH and ABTS radicals, with IC50 values of 79 μM and 2.73 μM, respectively. Effusol rescues CA1 LTP attenuated by corticosterone, defending the hippocampal function against stress-induced cognitive decline[1].
Frequentin
An antibiotic produced by Penicillium frequentans Westling. CONFIDENCE isolated standard
3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1055
(2R,5R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydro-5-hydroxy-8,8a-dimethyl-3-oxonaphthalene-2-yl acetate
5-(2-hydroxyethyl)-2-hydroxymethyl--2,5-dimethyl-indan-4,7-diol|russujaponol L
rel-(1R,2S,3R)-2,3-dihydro-5-(2-hydroxymethyl)-6-(hydroxymethyl)-2,4-dimethyl-1H-indene-1,3-diol|semipterosin A
(3E,5S,6E,8S,9E,14R)-5,8-dihydroxy-14-methyloxacyclotetradeca-3,6,9-trien-2-one|mutolide
5-hydroxy-2,2,6,6-tetramethyl-4-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
2-<2-Hydroxy-1,1-bis(hydroxymethyl)ethyl>-5,5-bis(hydroxymethyl)-1,3-dioxan
(+)-5-chloro-7,11-helianane|(S)-(+)-5-chloro-7,11-helianane|(S)-5-chloro-7,11-helianane
2-(3-chloro-1 ,3-dimethylcyclohexyl)-5-methylphenol
(2-acetoxy)-6-hept-4-enyl-5,6-dihydro-2-H-pyran-2-one
(3Z, 6S, 7S, 8Z, 12Z)-7-Chloro-3, 9, 12-pentadecatrien-1-yn-6-ol
(R,E)-1-(4-(3-hydroxyprop-1-enyl)phenoxy)-3-methylbutane-2,3-diol
4beta-hydroxy-9beta-acetoxy-11,12,13-trinor-5-eudesmen-7-one
1beta-hydroxy-4-oxo-11betaH-4-noreudesman-6,12-olide
(3aR,5aR,7S,9aS,9bR)-3a,5a,6,7,8,9,9a,9b-octahydro-3a-hydroxy-7-(hydroxymethyl)-9b-methylnaphtho[1,2-c]furan-1(3H)-one|oblongolide E
3-Aethyl-6-(4-hydroxy-benzyl)-piperazin-2,5-diol|3-ethyl-6-(4-hydroxy-benzyl)-piperazine-2,5-diol
(3aR,5aR,7R,9aS,9bR)-3a,5a,6,7,8,9,9a,9b-octahydro-3a,7-dihydroxy-7,9b-dimethylnaphtho[1,2-c]furan-1(3H)-one|oblongolide B
2,6-Dimethyl-3-O-methyl-4-(2-methylbutyryl)phloroglucinol
1-(2-Hydroxy-3,5-dimethyl-4,6-dimethoxyphenyl)-2-methyl-1-propanone
8,9-epoxy-11-nor-7-driman-12-oic acid|nebularic acid B
4-chloro-1-(2-hydroxy-4-methylphenyl)-1 ,3-dimethylcyclohexane
4-(4-Methyl-pent-3-enyl)-cyclohex-4-ene-1,2-dicarboxylic acid
C14H20O4_(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione
Cimetidine
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Cimetidine (SKF-92334) is an orally active and inverse histamine H2 receptor antagonist with a Ki of 0.6 μM. Cimetidine is a gastric acid reducer, and can be used for duodenal and gastric ulcers research. Cimetidine has anti-cancer and anti-inflammatory activity[1][2][5].
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione_major
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione_minor
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione_48.9\\%
His-pro
A dipeptide formed from L-histidine and L-proline residues.
Ser-phe
A dipeptide that is the N-(L-seryl) derivative of L-phenylalanine.
Tyr-ala
A dipeptide formed from L-tyrosine and L-alanine residues.
2-Butanoyl-4,4,6,6-tetramethyl-1,3,5-cyclohexanetrione
(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene
3a-Hydroxyoreadone
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
TERT-BUTYL (4-FORMYL-2-METHOXYPYRIDIN-3-YL)CARBAMATE
tert-butyl 3-(2-cyanoacetyl)piperidine-1-carboxylate
2-[(4-ethylamino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methyl-p ropanenitrile
3-(Diethoxyphosphinyl)-2-methylpropanoic acid ethyl ester
2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Butanoic acid,2-(diethoxyphosphinyl)-, ethyl ester
1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]benzoic acid
4-(4-Methoxy-phenyl)-2,3-dihydro-1H-benzo[b][1,4]diazepine
4-(Methoxycarbonyl)furan-2-boronic acid pinacol ester
ethyl 2-(2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetate
4-((tert-butoxycarbonylamino)methyl)picolinic acid
(5-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)PYRIDIN-3-YL)BORONIC ACID
1-(3-CHLORO-PHENYL)-3-PYRROLIDIN-1-YL-PROPYL]-METHYL-AMINE
1-(4-CHLORO-PHENYL)-3-PYRROLIDIN-1-YL-PROPYL]-METHYL-AMINE
1-(2-CHLORO-PHENYL)-3-PYRROLIDIN-1-YL-PROPYL]-METHYL-AMINE
1-[2-AMINO-1-(3-FLUORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
1-[2-AMINO-1-(4-FLUORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
2-((tert-Butoxycarbonyl)amino)-2-(pyridin-2-yl)acetic acid
2-Fluoro-4-Methoxyphenylboronic acid pinacol ester
N-(2-methoxyethyl)-3-methyl-4-nitro-N-propylaniline
(2S,3S)-1-(2-METHYLAMINO-2-PHENYL-ETHYL)-PYRROLIDIN-3-OL
2-(2-CYANO-ACETYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1,4-Benzenedicarboxamide,N1,N4-bis(2-hydroxyethyl)-
(S)-BENZYL (3-HYDROXY-1-(METHYLAMINO)-1-OXOPROPAN-2-YL)CARBAMATE
2-(3-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(2S,4R)-1-BOC-2-hydroxyMethyl-4-amino Pyrrolidine-HCl
(2S,4S)-1-BOC-2-hydroxyMethyl-4-amino Pyrrolidine-HCl
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-(METHYLAMINO)PROPANOIC ACID
4H-1-Benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-phenyl-
TERT-BUTYL 4-FORMYL-5-METHOXYPYRIDIN-3-YLCARBAMATE
6-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)NICOTINIC ACID
1-[2-(4-amino-2-methoxyphenoxy)ethyl]pyrrolidin-3-ol
3-FURAN-2-YL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetic acid
tert-Butyl ((3R,5S)-5-(hydroxymethyl)pyrrolidin-3-yl)carbamate hydrochloride
Methyl 3-fluoro-4-(4-methyl-1-piperazinyl)benzoate
(2-((TERT-BUTYLDIMETHYLSILYL)OXY)PHENYL)BORONIC ACID
3-Amino-4-fluoro-1-piperidinecarboxylic acid benzyl ester
(E)-3-[2-[(2-methylphenyl)methoxy]phenyl]prop-2-enal
3-(4-methoxyphenyl)-3,4-dihydronaphthalen-1(2H)-one
4-(3-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
4-(2-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
3-AMINO-3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-PROPIONIC ACID
2-(6-((tert-Butoxycarbonyl)amino)pyridin-2-yl)acetic acid
2,2,3,3-Tetrahydro-1,1-spirobi[1H-indene]-7,7-diol
2-(4-Dimethylamino-phenyl)-1H-benzoimidazol-5-yl-amine
6-(4-methylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
N-[3-(dimethoxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide
butyl prop-2-enoate,prop-2-enamide,prop-2-enenitrile
N-(3-DIMETHOXYMETHYL-PYRIDIN-4-YL)-2,2-DIMETHYL-PROPIONAMIDE
N-(5-DIMETHOXYMETHYL-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE
1,4-Benzenedicarboxylicacid, 2,5-diamino-, 1,4-diethyl ester
1-[2-HYDROXY-6-(2-HYDROXYPROPOXY)-3-PROPYLPHENYL]ETHAN-1-ONE
N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
2-(2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-ETHOXY-4-(2-HYDROXY-1,1-DIMETHYL-ETHYL)-BENZOIC ACID METHYL ESTER
4-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
2-(3,4-Dimethoxyphenyl)-3-methyl-buttersaeuremethylester
6-(1,2,4-triazol-1-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazole
(1S,4S)-(+)-2-(3,4-DICHLORO-BENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE
2-(4-Fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
7-BENZYL-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
Tert-butyl N-[(4-Methoxyphenyl)MethylaMino]carbaMate
Poly(divinylbenzene-co-trimethyl(vinylbenzyl)ammonium chloride)
It is used as a food additive .
2-(2-Fluoro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(R)-2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethan-1-ol
(2-fluoro-4-((4-Methylpiperazin-1-yl)Methyl)phenyl)boronic acid
2-(4-ETHYL-PHENYL)-6-METHYL-2H-BENZOTRIAZOL-5-YLAMINE
(R)-2,2,3,3-TETRAHYDRO-1,1-SPIROBI[INDENE]-7,7-DIOL, >=95
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 8-oxo-, methyl ester
2-Fluoro-3-methoxyphenylboronic acid pinacol ester
5,6-DIMETHYL-7-(4-METHYLPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
2-(4-AMINO-1-(4-FLUOROPHENYL)PIPERIDIN-4-YL)ACETIC ACID
2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzene-1,4-diol
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(4S,8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione
4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 1,6,7,8,9,9a-hexahydro-1,6-dimethyl-4-oxo-, ethyl ester
Hydrocinnamic acid, p-(trimethylsiloxy)-, methyl ester
1,3-Bis(p-hydroxyphenyl)pentane-1,4-diene
A norlignan that is pentane-1,4-diene in which a hydrogen at position 1 and a hydrogen at position 3 are replaced by p-hydroxyphenyl groups. The isomer in which the 1,2-disubstituted double bond has Z configuration is known as nyasol; the corresponding E isomer is hinokiresinol.
(-)-Hinokiresinol
A 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene that has 1E,3S configuration. A natural product found in Chamaecyparis obtusa.
(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbaldehyde
[(1S)-1-[[(2S)-2-amino-4-methylpentanoyl]amino]ethyl]-methoxyphosphinic acid
(2R,3R,4S)-2-({[(1R)-2-Hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)propanamide
(2R,3R,4S)-2-({[(1S)-2-Hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
9-Phenyl-1,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline
N-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide
(1S,2R)-4-(4-methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid
13,15-Dimethyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,8,10,12,14-hexaene
6-(cyclohexylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
1-cyano-2-methyl-3-[2-[(5-methyl-4H-imidazol-4-yl)methylthio]ethyl]guanidine
(4R)-4,8-dimethylnonyl hydrogen sulfate
An alkyl sulfate that is the sulfuric ester of (4R)-4,8-dimethylnonan-1-ol.
4-Methoxyphenylpropionic acid trimethylsilyl ester
2-Methoxyphenylpropionic acid, trimethylsilyl ester
4-[(1Z,3S)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
5-(butan-2-yl)-1,3-dimethyl-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione
(-)-Nyasol
A 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene that has 1Z,3R configuration. A natural product found in Anemarrhena asphodeloides.
(+)-nyasol
A 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene that has 1Z,3S configuration. A natural product found in Asparagus africanus and Asparagus cochinchinensis.
His-Pro zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Pro. Major species at pH 7.3.
(2r,5r,8s,8ar)-5-hydroxy-8,8a-dimethyl-3-oxo-1,2,5,6,7,8-hexahydronaphthalen-2-yl acetate
(8s,8ar)-3-[(2r)-butan-2-yl]-8,8a-dihydroxy-4-methyl-7,8-dihydro-1h-isochromen-6-one
(3s,3ar,5ar,7s,9as,9br)-3,3a-dihydroxy-7,9b-dimethyl-3h,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
4-[(1z,4z)-5-(4-hydroxyphenyl)penta-1,4-dien-1-yl]phenol
4,4,7a-trimethyl-2-oxo-hexahydronaphtho[1,2-b]oxirene-1a-carboxylic acid
(2s)-5-methoxy-4,6,6-trimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
10-hydroxy-14-methyl-1-oxacyclotetradeca-6,8-diene-2,5-dione
8-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-dien-3-one
3-(hepta-1,3,5-trien-1-yl)-5,6-dihydroxy-2-(hydroxymethyl)cyclohexan-1-one
1-acetyl-1,7-dihydroxy-4,4-dimethylspiro[4.5]dec-6-en-8-one
(2s)-5-(2-hydroxyethyl)-2-(hydroxymethyl)-2,6-dimethyl-1,3-dihydroindene-4,7-diol
4-hydroxy-3-methyl-6-(5-methyl-6-oxoheptyl)pyran-2-one
(3e,5s,6e,8s,9e,14r)-5,8-dihydroxy-14-methyl-1-oxacyclotetradeca-3,6,9-trien-2-one
3-[(1r,2r,6s,8ar)-6-hydroxy-2-methyl-3-oxo-2,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]propanoic acid
(3e,5s,6z,8e,10r,14s)-5,10-dihydroxy-14-methyl-1-oxacyclotetradeca-3,6,8-trien-2-one
3-(hepta-1,3-dien-1-yl)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
4-[(3r)-3-(4-hydroxyphenyl)penta-1,4-dien-1-yl]phenol
14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadeca-9,12-dien-3-one
(6s)-8-chloro-2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine
(3s)-1-ethoxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1h-2-benzopyran-6-ol
(2r)-5-methoxy-4,6,6-trimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
1-ethoxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1h-2-benzopyran-6-ol
(1s,5s)-1-acetyl-1,7-dihydroxy-4,4-dimethylspiro[4.5]dec-6-en-8-one
(2r,3as,5r)-3a-hydroxy-2-(2-hydroxypropan-2-yl)-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran-6-one
(2r,3ar,5s)-3a-hydroxy-2-(2-hydroxypropan-2-yl)-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran-6-one
(4s,5r,6r)-6-hydroxy-5-(2-hydroxypropanoyl)-4-[(1e)-pent-1-en-1-yl]cyclohex-2-en-1-one
[3]-gingerol
{"Ingredient_id": "HBIN008571","Ingredient_name": "[3]-gingerol","Alias": "NA","Ingredient_formula": "C14H20O4","Ingredient_Smile": "CCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O","Ingredient_weight": "252.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19288","PubChem_id": "71103175","DrugBank_id": "NA"}
benzeneacetic
{"Ingredient_id": "HBIN017754","Ingredient_name": "benzeneacetic","Alias": "NA","Ingredient_formula": "C17H16O2","Ingredient_Smile": "C1=CC=C(C=C1)CC(=O)OCC=CC2=CC=CC=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39885","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
