Exact Mass: 168.1123
Exact Mass Matches: 168.1123
Found 500 metabolites which its exact mass value is equals to given mass value 168.1123,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6-endo-Hydroxyfenchone
6-endo-Hydroxyfenchone belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. 6-endo-Hydroxyfenchone was found to be an oxidation product of both (+)-fenchone and (-)-fenchone by two human liver microsomal P450 enzymes: CYP2A6 and CYP2B6 (PMID: 17142962, 17484521).
(+)-Bottrospicatol
[(1S,5S,7R)-3,7-dimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl]methanol is a member of the class of compounds known as tetrahydrofurans. Tetrahydrofurans are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. [(1S,5S,7R)-3,7-dimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl]methanol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa).
Neric acid
Cis-geranic acid, also known as cis-geranate, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Thus, cis-geranic acid is considered to be a fatty acid lipid molecule. Cis-geranic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cis-geranic acid can be found in ginger, which makes cis-geranic acid a potential biomarker for the consumption of this food product.
Piperitone oxide
Piperitone oxide is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. Piperitone oxide is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Piperitone oxide can be found in cornmint, orange mint, peppermint, and spearmint, which makes piperitone oxide a potential biomarker for the consumption of these food products.
(±)-Limonene diepoxide
(±)-limonene diepoxide is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (±)-limonene diepoxide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (±)-limonene diepoxide can be found in wild celery, which makes (±)-limonene diepoxide a potential biomarker for the consumption of this food product.
p-mentha-1,8-dien-4-yl-hydroperoxide
Flavouring compound [Flavornet]
(E)-p-mentha-1(7),8-dien-2-hydroperoxide
Flavouring compound [Flavornet]
(E)-p-mentha-6,8-dien-2-hydroperoxide
Flavouring compound [Flavornet]
(Z)-p-mentha-1,8-dien-2-hydroperoxide
Flavouring compound [Flavornet]
(S)-6-Hydroxy-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one
(1alpha,4beta,5alpha)-4-Hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-methanol
(4S-trans)-4-Hydroxy-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-one
(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
4-Hydroxy-4,6,6-trimethylbicyclo[3.1.1]heptan-2-one
(1s,5r,7r,s)-(4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-en-7-yl)methanol
(1alpha,4alpha,7R*)-5-methyl-7-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
(4S-cis)-4-Hydroxy-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-one
1,10-oxy-alpha-myrcene hydroxide|1,10-Oxy-??-myrcene hydroxide
Cyclohexanone, 2-hydroxy-5-methyl-2-(1-methylethenyl)-
1-(3-Hydroxymethyl-2,2-dimethylcyclopropyl)-2-methyl-2-propene-1-one
2-Hydroxy-3-n-pentyl-cyclopent-2-en-1-on|2-hydroxy-3-pentyl-2-cyclopenten-1-one|2-hydroxy-3-pentyl-2-cyclopentenone
(Z)-O-beta-D-Glucopyranoside-8-Hydroxy-2,6-dimethyl-2,5-octadien-4-one
3-Butenoic acid, 3-methyl-, (3-methyl-3-butenyl) ester
5-Methyl-7-isopropyl-2,3-dioxabicyclo[2.2.2]octa-5-ene
(+)-(2E,4E)-4,6-dimethylocta-2,4-dienoic acid|(+)-(2E,4E,6S)-4,6-dimethylocta-2,4-dienoic acid|(S)-4,6-dimethyl-octa-2t,4t-dienoic acid|(S)-4,6-Dimethyl-octa-2t,4t-diensaeure
(1R,4R)-3,3,5-trimethyl-2-oxabicyclo[2.2.2]oct-5-en-4-ol
(-)-dec-6t-en-4-yne-1,8-diol|Deca-4t-en-6-in-3,10-diol
1,10-oxy-beta-myrcene hydroxide|1,10-Oxy-??-myrcene hydroxide
3,3,7-Trimethyl-4,9-dioxatricyclo(3.3.1.02,7)nonane
(1R,4R,5R)-4,8-dimethyl-2-oxabicyclo[3.3.1]non-7-en-4-ol|(1R,5R,6R)-2,6-dimethyl-8-oxabicyclo[3.3.1]non-2-en-6-ol|2,9-epoxy-p-menth-6-en-8-ol|haplopappol
methyl non-8-ynoate|methyl-8-nonynoate|Non-8-insaeure-methylester|non-8-ynoic acid methyl ester
Chrysanthemic_acid
Chrysanthemic acid is a monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. It has a role as a plant metabolite. It is a member of cyclopropanes and a monocarboxylic acid. It is functionally related to a cyclopropanecarboxylic acid. Chrysanthemic acid is a natural product found in Chrysanthemum indicum with data available. A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
FA 10:2
(2E,4E)-deca-2,4-dienoic acid is a polyunsaturated fatty acid that is decanoic acid (capric acid) which has been dehydrogenated to introduce double bonds with E configuration at positions 2-3 and 4-5. It is a medium-chain fatty acid and a polyunsaturated fatty acid. A polyunsaturated fatty acid that is capric acid which has been dehydrogenated to introduce double bonds with E configuration at positions 2-3 and 4-5.
cis-(+)-chrysanthemic acid
(-)-cis-chrysanthemic acid
Diosphenol
A cyclic monoterpene ketone that is cyclohex-2-en-1-one substituted by a hydroxy group at position 2, a methyl group at position 3 and an isopropyl group at position 6.
1,2-Campholide
A delta-lactone that is 2-oxabicyclo[3.2.1]octan-3-one substituted by methyl groups at positions 1, 8 and 8 respectively.
(3Z)-3-[(4-chlorophenyl)methylidene]-8-phenyl-4-thia-1,6,7-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Limonene dioxide
(±)-limonene diepoxide is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (±)-limonene diepoxide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (±)-limonene diepoxide can be found in wild celery, which makes (±)-limonene diepoxide a potential biomarker for the consumption of this food product.
1-Methylbicyclo[4.1.0]heptane-7-carboxylic acid methyl ester
4-Methoxy-a,a-dimethyl-1,4-cyclohexadiene-1-methanol
3,4-DIMETHYL-CYCLOHEX-3-ENECARBOXYLIC ACID METHYL ESTER
(-)-trans-Chrysanthemic acid
5-Isopropyl-2-methyl-1-cyclopentenylcarboxylic acid
1,1-[(1R,2R)-1-Methyl-1,2-cyclopropanediyl]di(1-propanone)
(+)-iridodial lactol
An iridoid monoterpenoid that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted by methyl groups at positions 4 and 7 and a hydroxy group at position 1 (the 1R,4aS,7S,7aR-stereoisomer).
Cicrotoic Acid
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
3-Methyl-3-(4-methylpent-3-en-1-yl)oxirane-2-carbaldehyde
(1R,2S,5R)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde
2-methyl-5-(prop-1-en-2-yl)cyclohex-1-ene-1-peroxol
Paeonilactinone
A cyclic monoterpene ketone that is bicyclo[3.1.1]heptan-2-one which is substituted at positions 4, 6, and 6 by hydroxymethyl, methyl, and methyl groups (the 1R,4S,5R stereoisomer). It has been found in Japanese Paeoniae Radix, which has been used in various Chinese medicinal preparations as an anodyne, sedative, antispasmodic, and astringent.
2(3H)-Benzofuranone, hexahydro-3a,7a-dimethyl-, cis-
(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-ene-1-peroxol
(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-ene-1-peroxol
(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid
A monocarboxylic acid that is propionic acid which is substituted at position 2 by a 4-methylcyclohex-3-en-1-yl group (the R,R stereoisomer). A secondary metabolite with antifungal activity obtained from the endophytic fungus Pestalotiopsis foedan, obtained from the branch of the upriver orange mangrove, Bruguiera sexangula.
(-)-2,6,6-Trimethyl-2(R)-vinyltetrahydropyran-5-one
ASCARIDOLE
A p-menthane monoterpenoid that is p-menth-2-ene with a peroxy group across position 1 to 4. D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(+)-trans-Chrysanthemic acid
A trans-chrysanthemic acid in which both stereocentres have R configuration.
(4aS,7S,7aR)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
(1S)-6-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
(4R,7R)-4-isopropenyl-7-methyloxepan-2-one
2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)-
(1S,4R,6S)-1,3,3-Trimethyl-6-hydroxybicyclo[2.2.1]heptane-2-one
(1S,4R,6R)-1,3,3-Trimethyl-6-hydroxybicyclo[2.2.1]heptane-2-one
jasmolactone
A member of the class of 2-pyranones that is tetrahydro-2H-pyran-2-one substituted by a pent-2-en-5-yl group at position 6. It is used as a flavouring agent and as an ingredient in perfumes.
(E)-jasmolactone
A jasmolactone in which the double bond adopts a trans-configuration.
(Z)-jasmolactone
A jasmolactone in which the double bond adopts a cis-configuration.
cis-cis-nepetalactol
A cyclopentapyran that is (4aR,7aS)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by methyl groups (the 4aR,7S,7aS)-diastereomer.
(3r,4r)-3-hydroxy-4-isopropylcyclohex-1-ene-1-carbaldehyde
1-[(2s)-3,3-dimethyloxiran-2-yl]-2,2-dimethylbut-3-en-1-one
(6r)-2-hydroxy-6-isopropyl-3-methylcyclohex-2-en-1-one
(1s,4r,7r)-7-isopropyl-5-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene
(5s)-5-hydroxy-3,7,7-trimethylcyclohept-2-en-1-one
(1s,3r,5s)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane-3-peroxol
(5r)-2-(2-hydroxypropan-2-yl)-5-methylcyclohex-2-en-1-one
4-isopropyl-7-methyl-3,8-dioxatricyclo[5.1.0.0²,⁴]octane
2-(hydroxymethyl)-7,7-dimethylbicyclo[3.1.1]hept-2-en-6-ol
(1r,4z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol
(5s)-5-methyl-3-[(2s)-2-methylbutyl]-5h-furan-2-one
(3s,4s)-3-hydroxy-4-isopropylcyclohex-1-ene-1-carbaldehyde
2-[(1r,6s)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol
(4s,5r)-4-methyl-5-(3-methylbut-2-en-1-yl)oxolan-2-one
(1r,4s,7s)-7-isopropyl-5-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene
7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptane-2,6-diol
3-hydroxy-4-isopropylcyclohex-1-ene-1-carbaldehyde
(1r,3r,6s)-3-isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one
1,10-oxy-α-myrcenehydroxide
{"Ingredient_id": "HBIN000246","Ingredient_name": "1,10-oxy-\u03b1-myrcenehydroxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(=C)C(CCC1=CCOC1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16441","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,10-oxy-β-myrcenehydroxide
{"Ingredient_id": "HBIN000247","Ingredient_name": "1,10-oxy-\u03b2-myrcenehydroxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(C)(C=CCC1=CCOC1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16442","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(1r,4s)-p-mentha-2,8-dien-1-hydroperoxide
{"Ingredient_id": "HBIN003148","Ingredient_name": "(?)-(1r,4s)-p-mentha-2,8-dien-1-hydroperoxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(=C)C1CCC(C=C1)(C)OO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13712","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(1s,4s)-p-mentha-2,8-dien-1-hydroperoxide
{"Ingredient_id": "HBIN003299","Ingredient_name": "(?)-(1s,4s)-p-mentha-2,8-dien-1-hydroperoxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(=C)C1CCC(C=C1)(C)OO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13713","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(2r,4s)-p-mentha-1(7),8-dien-2-hydro-peroxide
{"Ingredient_id": "HBIN006515","Ingredient_name": "(?)-(2r,4s)-p-mentha-1(7),8-dien-2-hydro-peroxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(=C)C1CCC(=C)C(C1)OO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13714","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(2s,4s)-p-mentha-1(7),8-dien-2-hydro-peroxide
{"Ingredient_id": "HBIN006750","Ingredient_name": "(?)-(2s,4s)-p-mentha-1(7),8-dien-2-hydro-peroxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC(=C)C1CCC(=C)C(C1)OO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13715","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-hydroxy-2-(2-methylcyclohex-1-enyl)propionaldehyde
{"Ingredient_id": "HBIN008629","Ingredient_name": "3-hydroxy-2-(2-methylcyclohex-1-enyl)propionaldehyde","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC1=C(CCCC1)C(CO)C=O","Ingredient_weight": "168.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40252","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "572960","DrugBank_id": "NA"}
(4S,6R)一6一Hydroxy-PIPeritone
{"Ingredient_id": "HBIN010902","Ingredient_name": "(4S,6R)\u4e006\u4e00Hydroxy-PIPeritone","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC1=CC(=O)C(CC1O)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42360","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxymatatabiether
{"Ingredient_id": "HBIN011696","Ingredient_name": "5-hydroxymatatabiether","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC1COC2(C(CC1C2=C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10364","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6alpha-methyl-2,6beta-dihydroxymethyl-bicyclo[3.1.1]-hept-2-ene
{"Ingredient_id": "HBIN012211","Ingredient_name": "6alpha-methyl-2,6beta-dihydroxymethyl-bicyclo[3.1.1]-hept-2-ene","Alias": "6\u03b1-methyl-2,6\u03b2-dihydroxymethylbicyclo-[3.1.1]-hept-2-ene","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC1(C2CC=C(C1C2)CO)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31591;14303","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α-limonene diepoxide
{"Ingredient_id": "HBIN015581","Ingredient_name": "\u03b1-limonene diepoxide","Alias": "NA","Ingredient_formula": "C10H16O2","Ingredient_Smile": "CC12CCC(CC1O2)C3(CO3)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36854","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
