Exact Mass: 226.1178
Exact Mass Matches: 226.1178
Found 257 metabolites which its exact mass value is equals to given mass value 226.1178,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Metyrapone
Metyrapone is only found in individuals that have used or taken this drug. It is an inhibitor of the enzyme steroid 11-beta-monooxygenase. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of cushing syndrome. [PubChem]The pharmacological effect of Metopirone is to reduce cortisol and corticosterone production by inhibiting the 11-ß-hydroxylation reaction in the adrenal cortex. Removal of the strong inhibitory feedback mechanism exerted by cortisol results in an increase in adrenocorticotropic hormone (ACTH) production by the pituitary. With continued blockade of the enzymatic steps leading to production of cortisol and corticosterone, there is a marked increase in adrenocortical secretion of their immediate precursors, 11-desoxycortisol and desoxycorticosterone, which are weak suppressors of ACTH release, and a corresponding elevation of these steroids in the plasma and of their metabolites in the urine. These metabolites are readily determined by measuring urinary 17-hydroxycorticosteroids (17-OHCS) or 17-ketogenic steroids (17-KGS). Because of these actions, metopirone is used as a diagnostic test, with urinary 17-OHCS measured as an index of pituitary ACTH responsiveness. Metopirone may also suppress biosynthesis of aldosterone, resulting in a mild natriuresis. V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CD - Tests for pituitary function D009676 - Noxae > D000963 - Antimetabolites KEIO_ID M111; [MS2] KO009044 D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor KEIO_ID M111
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.
5-[[Methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
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
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.
methyl 3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
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)
4-Amino-1-benzylpiperidine dihydrochloride hydrate
6-Isoquinolinol,1,2,3,4-tetrahydro-1-(4-pyridinyl)-(9CI)
(5-Amino-2-fluorophenyl)-carbamic acid tert-butyl ester
2-Methyl-2-Propanyl (3-Amino-4-Fluorophenyl)Carbamate
Benzenamine,N,N-dimethyl-4-[2-(2-pyridinyl)diazenyl]-
Phosphonous acid,P-phenyl-, bis(1-methylethyl) ester
3-METHYL-1-PHENYL-6,7-DIHYDRO-1H-INDAZOL-4(5H)-ONE
8-phenyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
(1R,2R,4R)-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
(2-AMINO-3-FLUORO-PHENYL)-CARBAMICACID TERT-BUTYLESTER
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-
2,6-diamino-3,3,4,4,5,5,6,6-octadeuteriohexanoic acid,dihydrochloride
4-BENZYL-3,4-DIHYDROPYRROLO[1,2-A]PYRAZIN-1(2H)-ONE
methyl 2-methylprop-2-enoate,prop-2-enyl 2-methylprop-2-enoate
5-Amino-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazole-4-carbonitrile
N-methyl-[5-(morpholinomethyl)thien-2-ylmethyl]amine
(1-(tert-Butoxycarbonyl)-3-methyl-1H-pyrazol-5-yl)boronic acid
4-PHENYL-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDIN-2(1H)-ONE
Thiourea,N-[5-(1H-imidazol-4-yl)pentyl]-N-methyl- (9CI)
2-ethyl-2,3-dihydro-2-(1H-imidazol-5-yl)-1H-Inden-1-one
1-(2-CHLORO-PHENYL)-N1,N1-DIETHYL-ETHANE-1,2-DIAMINE
(2-AMINO-4-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
1H-Indole,2,3-dihydro-5-methoxy-2-(4-pyridinyl)-(9CI)
N(2)-methylharmine
A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a methoxy group at position 7 and methyl groups at positions 1 and 2. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.
3-(1,5-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
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
metyrapone
V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CD - Tests for pituitary function D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
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
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"}
