Exact Mass: 184.1198
Exact Mass Matches: 184.1198
Found 500 metabolites which its exact mass value is equals to given mass value 184.1198,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1,4-Dimethyl-7-ethylazulene
Chamazulene is a sesquiterpenoid. Chamazulene is a natural product found in Artemisia macrocephala, Otanthus maritimus, and other organisms with data available. See also: Chamomile (part of); Chamaemelum nobile flower (part of). Isol. as artifact from various sesquiterpene oils, e.g. from Achillea and Artemisia subspecies 1,4-Dimethyl-7-ethylazulene is found in roman camomile, german camomile, and anise. 1,4-Dimethyl-7-ethylazulene is found in anise. 1,4-Dimethyl-7-ethylazulene is isolated as artifact from various sesquiterpene oils, e.g. from Achillea and Artemisia species.
Benzidine
Benzidine is prepared in a two step process from nitrobenzene. First, the nitrobenzene is converted to 1,2-diphenylhydrazine, usually using iron powder as the reducing agent. Treatment of this hydrazine with mineral acids induces a rearrangement reaction to 4,4-benzidine. Smaller amounts of other isomers are also formed. The benzidine rearrangement, which proceeds intramolecularly, is a classic mechanistic puzzle in organic chemistry. Benzidine, the trivial name for 4,4-diaminobiphenyl, is the solid organic compound with the formula (C6H4NH2)2. This aromatic amine is a component of a test for cyanide and also in the production of dyes. Benzidine has been linked to bladder and pancreatic cancer. Since August 2010 benzidine dyes are included in the EPAs List of Chemicals of Concern.
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)-
2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid
7-deoxyloganetic alcohol
A cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by a hydroxymethyl and methyl group, respectively (the 1R,4aS,7S,7aR-diastereomer).
(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one
(1'R)-Nepetalic acid
(1R)-Nepetalic acid is found in herbs and spices. (1R)-Nepetalic acid is a constituent of Nepeta cataria (catnip) Constituent of Nepeta cataria (catnip). (1R)-Nepetalic acid is found in tea and herbs and spices.
(4S,8R)-8,9-Dihydroxy-p-menth-1(6)-en-2-one
(4S,8S)-8,9-Dihydroxy-p-menth-1(6)-en-2-one is found in herbs and spices. (4S,8S)-8,9-Dihydroxy-p-menth-1(6)-en-2-one is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (4S,8S)-8,9-Dihydroxy-p-menth-1(6)-en-2-one is found in herbs and spices.
(E)-10-Oxo-8-decenoic acid
(E)-10-Oxo-8-decenoic acid is found in mushrooms. (E)-10-Oxo-8-decenoic acid is a constituent of the mushroom Agaricus bisporus (button mushroom). Constituent of the mushroom Agaricus bisporus (button mushroom). (E)-10-Oxo-8-decenoic acid is found in mushrooms.
(S)-Oleuropeic acid
Oleuropeic acid, also known as rac-oleuropeate, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Oleuropeic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Oleuropeic acid can be found in olive, which makes oleuropeic acid a potential biomarker for the consumption of this food product. (S)-Oleuropeic acid is found in fats and oils. Aglycone from Olea europaea (olive).
1-Acetylcyclohexyl acetate
1-Acetylcyclohexyl acetate is a flavourant for food and tobacco. Flavourant for food and tobacco
Acisoga
N-(3-acetamidopropyl)pyrrolidin-2-one is a catabolic product of spermidine and is formed from N1-acetylspermidine. It is classified as a member of the N-alkylpyrrolidines. N-alkylpyrrolidines are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. N-(3-acetamidopropyl)pyrrolidin-2-one is considered to be soluble (in water) and relatively neutral. (Chemosummarizer) It is excreted in the urine. The urinary level of N-(3-acetamidopropyl)pyrrolidin-2-one is increased in patients with non-Hodgkins lymphoma.
1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrole-3-carboxamide
Abametapir
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides
alpha-Campholonic acid
Alpha-campholonic acid, also known as A-campholonate, belongs to iridoids and derivatives class of compounds. Those are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open. Alpha-campholonic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Alpha-campholonic acid can be found in common sage, which makes alpha-campholonic acid a potential biomarker for the consumption of this food product.
Quaternary ammonium chloride combination
It is used as a food additive .
1,3-Bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one
Constituent of Foeniculum vulgare (fennel). 1,3-Bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one is found in herbs and spices.
trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
(1R-endo)-3-hydroxy-4-(hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptan-2-one
METRIBUZIN-DIKETO
A member of the class of 1,2,4-triazines that is 1,2,4-triazine-3,5(2H,4H)-dione substituted by an amino group at position 4 and a tert-butyl group at position 6. It is a metabolite of metribuzin. CONFIDENCE standard compound; EAWAG_UCHEM_ID 93
2-Cyclohepten-1-one, 4,5-dihydroxy-2,6,6-trimethyl-
(Z)-2-methyl-2-butensaeure-(3-hydroxy-2-methylidenbutyl)ester
(S)-2-[[(2R)-Tetrahydro-5alpha-methyl-5-vinylfuran]-2beta-yl]propanoic acid
6-hydroxy-6-isopropylcyclohex-1-enecarboxylic acid
(4S,5E)-4r-hydroxy-10t-methyl-3,4,7,8,9,10-hexahydro-oxecin-2-one|(4S,5E,10R)-4-hydroxy-10-methyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one|Diplodialide B|diplodialide-B
Rehmapicrogenin
Rehmapicrogenin is a natural product found in Rehmannia glutinosa with data available.
trans-2,4-dihydroxy-2,4-dimethyl-trans-1-acetic acid gamma-lactone
(1S,4S,5S,7S)-5,8-dihydroxyl-1,7-dimethylbicyclo[2.2.1]heptan-2-one
4-Hydroxy-5-(1-hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one
(2R,4R)-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran-4-carboxylic acid|sibiraic acid
1,3-bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one
3,3-Dimethyl-2-oxabicyclo[2.2.2]octane-1-carboxylic acid
Terbuthylazine-TP MT23 (LM5)
CONFIDENCE standard compound; UCHEM_ID 4187 UCHEM_ID 4187; CONFIDENCE standard compound
(1'R)-Nepetalic acid
(4S,8R)-8,9-Dihydroxy-p-menth-1(6)-en-2-one
tert-Butyl 3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
6-amino-1,3-dimethyl-5-(methylamino)pyrimidine-2,4-dione
Pyrrolo[1,2-a]pyrazine-3-carboxylic acid, octahydro-, methyl ester, (3S-cis)- (9CI)
Pyrrolo[1,2-a]pyrazin-1(2H)-one, hexahydro-3-(hydroxymethyl)-2-methyl-, (3S,8aS)- (9CI)
Mitoguazone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C2090 - S-Adenosyl-Methionine Decarboxylase Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
4-hydroxyiminomethyl-2,2,5,5-tetramethyl-3-imidazoline-1-oxyl
Bicyclo[2.2.2]octane-1-carboxylicacid, 4-(hydroxymethyl)-
6-AMINO-5-(DIMETHYLAMINO)-1-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
Carbamic acid, (1-cyanopropyl)-, 1,1-dimethylethyl ester (9CI)
2,2,5,5-TETRAMETHYL-3-PYRROLIN-1-OXYL-3-CARBOXYLIC ACID
(E)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PROPEN-1-OL
4-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxylic acid
ethyl 2,2-dimethyl-3-oxocyclopentane-1-carboxylate
10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine
Pyrrolo[1,2-a]pyrazin-1(2H)-one, 2-ethylhexahydro-7-hydroxy-, (7R-cis)- (9CI)
1H-Cyclopenta[b]quinoxaline,2,3-dihydro-2-methyl-(9CI)
Cyclohexanecarboxylicacid, 4-methyl-2-oxo-, ethyl ester
(3AR,6AR)-5-ETHOXYCARBONYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE
1-Oxaspiro[2.5]octane-2-carboxylicacid, ethyl ester
rel-(4R,5R)-5-Hexyldihydro-4-methyl-2(3H)-furanone
((1 1-DIMETHYL-2-PENTYNYL)OXY)TRIMETHYL
C2H5C≡CC(CH3)2OSi(CH3)3 (184.1283)
3a,4,4a,7,7a,8,9,9a-Octahydro-1,4,8-metheno-1H-cyclopent[f]azulene
(2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-dimethylphospholane,iron(2+)
methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate
1,1Bis((2R,5R)-2,5-dimethylphospholano)ferrocene, min. 97
(3AS,6AS)-5-ETHOXYCARBONYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE
(3S,6S)-3-Methyl-6-(2-methylpropyl)piperazine-2,5-dione
2,2,5,5-Tetramethyl-3-carbamido-3-pyrroline-1-oxyl
(2R,6S)-2-amino-7,9-dimethyl-1,2,3,6-tetrahydropurin-9-ium-6-ol
Cruex
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use C254 - Anti-Infective Agent > C514 - Antifungal Agent 10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal. 10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal.
xi-gamma-Undecalactone
(±)-5-Heptyldihydro-2(3H)-furanone is a flavouring ingredient. Flavouring ingredient
(R)-adrenaline(1+)
An organic cation that is the conjugate acid of (R)-adrenaline, obtained by protonation of the amino group; major species at pH 7.3.
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethanaminium
[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid
2-[(1S,3S)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid
6-Octenoic acid, 3,7-dimethyl-, methyl ester, (S)-
(4R,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
5-Methoxy-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
(5R)-5-isopropenyl-1,2-dimethylcyclohexane-1-hydroperoxide
(4E,6E)-3-hydroxydeca-4,6-dienoic acid
A hydroxy monocarboxylic acid that is deca-4,6-dienoic acid substituted by a hydroxy group at position 3 (the 4E,6E-stereoisomer).
(1R,4R,5R,8S)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one
An organic heterobicyclic compound that is 2-oxabicyclo[3.3.1]nonan-3-one which has been substituted by an oxo group at position 3, methyl groups at positions 4 and 8, and by a hydroxy group at position 8 (the 1R,4R,5R,8S stereoisomer). Isolated from the plant endophytic fungus Pestalotiopsis foedan.
(2E,4Z)-8-hydroxydeca-2,4-dienoic acid
A polyunsaturated fatty acid that is deca-2,4-dienoic acid substituted by a hydroxy group at position 8 (the 2E,4Z stereoisomer).
(4R,7S)-4-isopropenyl-7-hydroxy-7-methyloxepan-2-one
(4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
6-Methyl-4-trimethylsilylmethyl-5,6-dihydro-2H-pyran
4-Dimethylamino-3-dimethylaminomethyl-2(5H)-furanone
2-[(1S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid
cis-3-Hexenyl isovalerate
A 3-hexenyl isovalerate in which the double bond adopts cis-configuration.
N-(3-acetamidopropyl)pyrrolidin-2-one
A member of the class of pyrrolidin-2-ones in which the amide hydrogen of pyrrolidin-2-one has been replaced by a 3-acetamidopropyl group.
trans-undec-2-enoic acid
A 2-undecenoic acid in which the olefinic double bond has E configuration.
ethyl 3-nonenoate
A fatty acid ethyl ester obtained by the formal condensation of 3-nonenoic acid with ethanol.
3-Hexenyl isovalerate
A fatty acid ester resulting from the formal condensation of the carboxy group of isovaleric acid with the hydroxy group of hex-3-en-1-ol.
trans-3-hexenyl isovalerate
A 3-hexenyl isovalerate in which the double bond adopts trans-configuration.
2-Hexenyl isovalerate
A fatty ester resulting from the formal condensation of the carboxy group of isovaleric acid with the hydroxy group of 2-hexen-1-ol.
(2E)-2-hexenyl isovalerate
A 2-hexenyl isovalerate in which the double bond adopts a trans-configuration.
Cyclo(Ile-Ala)
Cyclo(Ile-Ala) is found in marine actinomycete 11014 I.[1]. Cyclo(Ile-Ala) is found in marine actinomycete 11014 I.[1].
(3r,3ar,4r,5s,6ar)-5-hydroxy-3,4,5-trimethyl-tetrahydro-3h-cyclopenta[b]furan-2-one
7-(2-hydroxypropan-2-yl)-4-methyl-6,7-dihydro-5h-oxepin-2-one
(2s)-2-[(2s,5r)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
(4s,5s)-4,5-dihydroxy-2-isopropyl-5-methylcyclohex-2-en-1-one
4,5-dihydroxy-2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
(4r,5r)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one
(1s,2r,4s)-2-(3-methylbut-2-en-1-yl)cyclohexane-1,4-diol
(3s,6s)-3-methyl-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol
(1s,3r,5r,7s)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane
(4r)-4-hydroxymethylboschnialactone
{"Ingredient_id": "HBIN010862","Ingredient_name": "(4r)-4-hydroxymethylboschnialactone","Alias": "NA","Ingredient_formula": "C10H16O3","Ingredient_Smile": "CC1CCC2C1COC(=O)C2CO","Ingredient_weight": "184.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10469","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12109335","DrugBank_id": "NA"}
(4s,8r)-8,9-dihydroxy-8,9-dihydrocarvone
{"Ingredient_id": "HBIN010905","Ingredient_name": "(4s,8r)-8,9-dihydroxy-8,9-dihydrocarvone","Alias": "NA","Ingredient_formula": "C10H16O3","Ingredient_Smile": "CC1=CCC(CC1=O)C(C)(CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5808","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
