Exact Mass: 226.1218
Exact Mass Matches: 226.1218
Found 222 metabolites which its exact mass value is equals to given mass value 226.1218,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Amobarbital
Amobarbital is only found in individuals that have used or taken this drug. It is a barbiturate with hypnotic and sedative properties (but not antianxiety). Adverse effects are mainly a consequence of dose-related CNS depression and the risk of dependence with continued use is high. (From Martindale, The Extra Pharmacopoeia, 30th ed, p565)Amobarbital (like all barbiturates) works by binding to the GABAA receptor at either the alpha or the beta sub unit. These are binding sites that are distinct from GABA itself and also distinct from the benzodiazepine binding site. Like benzodiazepines, barbiturates potentiate the effect of GABA at this receptor. This GABAA receptor binding decreases input resistance, depresses burst and tonic firing, especially in ventrobasal and intralaminar neurons, while at the same time increasing burst duration and mean conductance at individual chloride channels; this increases both the amplitude and decay time of inhibitory postsynaptic currents. In addition to this GABA-ergic effect, barbiturates also block the AMPA receptor, a subtype of glutamate receptor. Glutamate is the principal excitatory neurotransmitter in the mammalian CNS. Amobarbital also appears to bind neuronal nicotinic acetylcholine receptors. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
Pentobarbital
A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236) D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
12-Hydroxyjasmonic acid
An oxo carboxylic acid that is jasmonic acid in which one of the hydrogens of the methyl group is replaced by a hydroxy group.
Allixin
Constituent of garlic (Allium sativum). Potential nutriceutical. Allixin is found in garlic, soft-necked garlic, and onion-family vegetables. Allixin is found in onion-family vegetables. Allixin is a constituent of garlic (Allium sativum). Potential nutriceutical.
3,4-Methylenesebacic acid
3,4-Methylenesebacic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Senkyunolide N
Senkyunolide j is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Senkyunolide j is soluble (in water) and a very weakly acidic compound (based on its pKa). Senkyunolide j can be found in wild celery, which makes senkyunolide j a potential biomarker for the consumption of this food product.
7-Epi-12-hydroxyjasmonic acid
7-epi-12-hydroxyjasmonic acid, also known as (+)-12-hydroxy-7-isojasmonate, is a member of the class of compounds known as jasmonic acids. Jasmonic acids are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety. Thus, 7-epi-12-hydroxyjasmonic acid is considered to be an octadecanoid lipid molecule. 7-epi-12-hydroxyjasmonic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 7-epi-12-hydroxyjasmonic acid can be synthesized from (+)-7-isojasmonic acid. 7-epi-12-hydroxyjasmonic acid can also be synthesized into N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucine and methyl tuberonate. 7-epi-12-hydroxyjasmonic acid can be found in potato, which makes 7-epi-12-hydroxyjasmonic acid a potential biomarker for the consumption of this food product.
1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
(1R,4aS,5R,7R,7aR)-1-ethoxy-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methylcyclopenta[c]pyran-4-carbaldehyde|incarvilleaol
Tuberonic acid
An oxo monocarboxylic acid that is (+)-7-isojasmonic acid in which one of the hydrogens of the side-chain methyl group is replaced by a hydroxy group.
(6E,9R,10R)-4,5-9,10-tetrahydro-9-hydroxy-10-propyl-3H-oxecin-2,8-dione|(8R,9R)-8-hydroxy-7-oxo-9-propyl-5-nonen-9-olide|staganolide A|stagonolide|stagonolide A
(4S,6R)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-methylcyclohex-2-en-1-one|(4S,6R)-dihydroxy-3-[E-3-hydroxy-3-methyl-but-1-enyl]-6-methyl-cyclohex-2-en-1-one|acremine A
2alpha,6alpha-dihydroxy-5-[(E)-3-hydroxy-3-methyl-1-butenyl]-6-methyl-4-cyclohexen-3-one
(3R,8aS)-3-(butan-2-yl)-hexahydro-2-hydroxypyrrolo[1,2-a]pyrazine-1,4-dione|callyspongidipeptide A
Senkyunolide J
3alpha-Butyl-4,5,6,7-tetrahydro-6alpha,7beta-dihydroxy-1(3H)-isobenzofuranone is a natural product found in Apium graveolens with data available.
7-Hydroxy-3-(1-methylpropyl)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4(2H,3H)-dione
methyl 3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
1-hydroxy-3-(1-hydroxy-1-methyl-ethyl)-6-isobutyl-1H-pyrazin-2-one|Muta-aspergillinsaeure
C12H18O4_{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid
C12H18O4_2-Cyclohexen-1-one, 4,6-dihydroxy-3-[(1E)-3-hydroxy-3-methyl-1-buten-1-yl]-6-methyl-, (4R,6S)
pentobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
amobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
4-Amino-1-benzylpiperidine dihydrochloride hydrate
2-CYANOMETHYL-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-Butyl 4-(3-hydroxypropyl)-1H-imidazole-1-carboxylate
Benzenamine,N,N-dimethyl-4-[2-(2-pyridinyl)diazenyl]-
Phosphonous acid,P-phenyl-, bis(1-methylethyl) ester
1-propyl-2,3-dimethylimidazolium tetrafluoroborate
Propanedioic acid, 2-cyclopenten-1-yl-, diethyl ester
2-(3,6-Dihydro-2H-thiopyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,4-Dioxaspiro[4.5]dec-7-ene-8-carboxylic acid, 7-Methyl-, ethyl ester
4-Cyclohexene-1,2-dicarboxylicacid, 1,2-diethyl ester, (1R,2S)-rel-
5-OXO-1,6-DIAZASPIRO[3.4]OCTANE-1-CARBOXYLIC ACID,1,1-DIMETHYLETHYL ESTER
methyl 2-methylprop-2-enoate,prop-2-enyl 2-methylprop-2-enoate
5-Amino-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazole-4-carbonitrile
Methyl 8-oxo-3,9-diazaspiro[5.5]undecane-3-carboxylate
N-methyl-[5-(morpholinomethyl)thien-2-ylmethyl]amine
(1-(tert-Butoxycarbonyl)-3-methyl-1H-pyrazol-5-yl)boronic acid
(1S,3S,5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester
Thiourea,N-[5-(1H-imidazol-4-yl)pentyl]-N-methyl- (9CI)
7-Oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid tert-butyl ester
1-(2-CHLORO-PHENYL)-N1,N1-DIETHYL-ETHANE-1,2-DIAMINE
Cordysinin A
A pyrrolopyrazine that is hexahydropyrrolo[1,2-a]pyrazine-1,4-dione substituted by a hydroxy group at position 6 and a 2-methylpropyl group at position 3. It has been isolated from the mycelia of Cordyceps sinensis.
2-[2-[(Z)-4-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
4-(hydroxymethyl)-3-(5-methylhexanoyl)-5H-furan-2-one
(1R)-3-Oxo-2beta-[(Z)-4-hydroxy 2-pentenyl]cyclopentane-1alpha-acetic acid
Fujikurin D
A pyrandione that is dihydro-2H-pyran-2,4(3H)-dione in which the hydrogens at positions 3, 5 and 6 are substituted by 1-hydroxy-2-methylbutylidene, methyl, and methyl groups, respectively. It is a natural product isolated from the fungus Fusarium fujikuroi.
2-[2-[(E)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
6-[(2r)-4-hydroxypentan-2-yl]-4-methoxy-3-methylpyran-2-one
6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
3-ethyl-1-(2-methoxy-2-oxoethyl)cyclohex-2-ene-1-carboxylic acid
(1r,5r)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carboxylic acid
(3s,8as)-1,7-dihydroxy-3-(2-methylpropyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
5,8-dihydroxy-12-methyl-1-oxacyclododeca-3,6-dien-2-one
(1r,4as,5r,7r,7ar)-1-ethoxy-5-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carbaldehyde
(2e,5e,7s)-8-methoxy-3,5,7-trimethyl-8-oxoocta-2,5-dienoic acid
(1R, 2R)-5'-hydroxyjasmonic acid
{"Ingredient_id": "HBIN003055","Ingredient_name": "(1R, 2R)-5'-hydroxyjasmonic acid","Alias": "(1r,2r)-5'-hydroxyjasmonicacid","Ingredient_formula": "C12H18O4","Ingredient_Smile": "C1CC(=O)C(C1CC(=O)O)CC=CCCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42365;10268","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol
{"Ingredient_id": "HBIN003568","Ingredient_name": "2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol","Alias": "NA","Ingredient_formula": "C12H18O4","Ingredient_Smile": "CCOC(C1=C(C=CC(=C1)OC)O)C(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7405","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol(i)
{"Ingredient_id": "HBIN003571","Ingredient_name": "2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol(i)","Alias": "NA","Ingredient_formula": "C12H18O4","Ingredient_Smile": "CCOC(C1=C(C=CC(=C1)OC)O)C(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25753","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
