Exact Mass: 168.1150236
Exact Mass Matches: 168.1150236
Found 500 metabolites which its exact mass value is equals to given mass value 168.1150236,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Geranic acid
Geranic acid, also known as 3,7-dimethylocta-2,6-dienoate or geranate, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Thus, geranic acid is considered to be a fatty acid lipid molecule. Geranic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Geranic acid, or 3,7-dimethyl-2,6-octadienoic acid, is a pheromone used by some organisms. It is a double bond isomer of nerolic acid . Geranic acid is found in cardamom. Geranic acid is present in petitgrain, lemongrass and other essential oil
Chrysanthemic acid
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
6-oxocineole
xi-1,8,8-Trimethyl-2-oxabicyclo[3.2.1]octan-3-one
1,2-campholide is a member of the class of compounds known as lactones. Lactones are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. Thus, 1,2-campholide is considered to be an isoprenoid lipid molecule. 1,2-campholide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-campholide can be found in herbs and spices, which makes 1,2-campholide a potential biomarker for the consumption of this food product. xi-1,8,8-Trimethyl-2-oxabicyclo[3.2.1]octan-3-one is found in herbs and spices. Intermed. metabolite of camphor in mature sage.
(Z)-3,5-Hexadienyl butyrate
(z)-3,5-hexadienyl butyrate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid (z)-3,5-hexadienyl butyrate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (z)-3,5-hexadienyl butyrate can be found in passion fruit, which makes (z)-3,5-hexadienyl butyrate a potential biomarker for the consumption of this food product.
(+/-)-2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propionaldehyde
Fliederaldehyde is found in tea. Fliederaldehyde is isolated from bergamot oil. Isolated from bergamot oil. Fliederaldehyde is found in tea.
(+)-Iridodial
An iridodial that is (1R,2R)-2-[(2R)-1-oxopropan-2-yl]cyclopentanecarbaldehyde substituted by a methyl group at position 2 (2S-stereoisomer).
Ascaridole
Ascaridole is found in cardamom. Said to be the major constituent of oil of Peumus boldus (boldo).Ascaridole is a natural organic compound classified as a bicyclic monoterpene that has an unusual bridging peroxide functional group. It is the primary constituent of the oil of Mexican Tea (Dysphania ambrosioides, formerly Chenopodium ambrosioides). It is a colorless liquid that is soluble in most organic solvents. Like other low molecular weight organic peroxides, it is unstable and prone to explosion when heated or treated with organic acids Said to be the major constituent of oil of Peumus boldus (boldo) D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(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
Geranate
A polyunsaturated fatty acid that is octa-2,6-dienoic acid bearing two methyl substituents at positions 3 and 7 (the 2E-isomer).
(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"}