Chemical Formula: C12H18
Chemical Formula C12H18
Found 77 metabolite its formula value is C12H18
Pregeijerene
Constituent of Ruta graveolens (rue) and Rubus rosifolius (Mauritius raspberry). Pregeijerene is found in herbs and spices, fruits, and anise. Pregeijerene is found in anise. Pregeijerene is a constituent of Ruta graveolens (rue) and Rubus rosifolius (Mauritius raspberry).
Hexylbenzene
Hexylbenzene belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
1,3-Diisopropylbenzene
Cymene, or p-cymene, is a naturally occurring aromatic organic compound. It is classified as a hydrocarbon related to a monoterpene. Its structure consists of a benzene ring para-substituted with a methyl group and an isopropyl group. It is insoluble in water, but miscible with ethanol and ether. Cymene is a constituent of a number of essential oils, most commonly the oil of cumin and thyme. There are two less common geometric isomers. o-Cymene, in which the alkyl groups are ortho-substituted, and m-cymene, in which they are meta-substituted. p-Cymene is the only natural isomer. [Wikipedia]
[H]C(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])([H])[H])=C([H])C([H])=C([H])C([H])([H])C([H])([H])[H]
(E,E,E)-1,7-dimethylcyclodeca-1,4,7-triene|pregeijerene B
11,12,13-Trinor-1(10),4,6-germacratriene|AgNO3 adduct-(1(10)E,4E,6Z)-11,12,13-Trinor-1(10),4,6-germacratriene
1H-Indene,2,3,3a,7a-tetrahydro-4-(1-methylethyl)-,cis-(9CI)
2-(TERT-BUTYL)-5-(PROPAN-2-YLIDENE)CYCLOPENTA-1,3-DIENE
1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene
4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohex-1-ene
1,2,4- triethenyl- Cyclohexane
{"Ingredient_id": "HBIN000661","Ingredient_name": "1,2,4- triethenyl- Cyclohexane","Alias": "NA","Ingredient_formula": "C12H18","Ingredient_Smile": "C=CC1CCC(C(C1)C=C)C=C","Ingredient_weight": "162.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42566","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "96529","DrugBank_id": "NA"}
2, 2-Dimethyl-3, 5-decadiyne
{"Ingredient_id": "HBIN003704","Ingredient_name": "2, 2-Dimethyl-3, 5-decadiyne","Alias": "NA","Ingredient_formula": "C12H18","Ingredient_Smile": "CCCCC#CC#CC(C)(C)C","Ingredient_weight": "162.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40606","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "41514","DrugBank_id": "NA"}
3,5-dimethylbutylbenzene
{"Ingredient_id": "HBIN007664","Ingredient_name": "3,5-dimethylbutylbenzene","Alias": "NA","Ingredient_formula": "C12H18","Ingredient_Smile": "CCCCC1=CC(=CC(=C1)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6328","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,8,8-Trimethylspiro[2.6]non-4,6-diene
{"Ingredient_id": "HBIN010131","Ingredient_name": "4,8,8-Trimethylspiro[2.6]non-4,6-diene","Alias": "NA","Ingredient_formula": "C12H18","Ingredient_Smile": "CC1=CC=CC(CC12CC2)(C)C","Ingredient_weight": "162.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42047","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "86017619","DrugBank_id": "NA"}
6,7-dimethyl-1,2,3,5,8,8a-hexahydronaphthalene
{"Ingredient_id": "HBIN012083","Ingredient_name": "6,7-dimethyl-1,2,3,5,8,8a-hexahydronaphthalene","Alias": "NA","Ingredient_formula": "C12H18","Ingredient_Smile": "CC1=C(CC2=CCCCC2C1)C","Ingredient_weight": "162.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40835","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "570683","DrugBank_id": "NA"}
Bicyclo[2.2.2]octa-2,5-diene, 1,2,3,6-tetramethyl-
{"Ingredient_id": "HBIN018420","Ingredient_name": "Bicyclo[2.2.2]octa-2,5-diene, 1,2,3,6-tetramethyl-","Alias": "NA","Ingredient_formula": "C12H18","Ingredient_Smile": "CC1=CC2CCC1(C(=C2C)C)C","Ingredient_weight": "162.27 g/mol","OB_score": "45.9282608","CAS_id": "NA","SymMap_id": "SMIT12588","TCMID_id": "NA","TCMSP_id": "MOL011719","TCM_ID_id": "NA","PubChem_id": "590286","DrugBank_id": "NA"}
