EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209514 - Octadeca-9,12-dienoic acid 7-isopropeny

ChEBI IDCHEBI:209514
ChEBI NameOctadeca-9,12-dienoic acid 7-isopropeny
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O2
Net Charge0
Average Mass476.745
Monoisotopic Mass476.36543
SMILESC=C(C)[C@@H]1C=C2C(COC(=O)CCCCCCC/C=C/C/C=C/CCCCC)=CC=C2C(C)=CC1
InChIInChI=1S/C33H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(34)35-26-30-23-24-31-28(4)21-22-29(27(2)3)25-32(30)31/h9-10,12-13,21,23-25,29H,2,5-8,11,14-20,22,26H2,1,3-4H3/b10-9+,13-12+/t29-/m0/s1
InChIKeyLFFWSHPNTNUPEV-AJCWGFOLSA-N
Species of MetaboliteComponentSourceComments
Lactarius deliciosus (ncbitaxon:55514) - DOI (10.1016/0031-9422(88)80597-1)
ChEBI Ontology
Outgoing Relation(s)
Octadeca-9,12-dienoic acid 7-isopropeny (CHEBI:209514) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4-methyl-7-prop-1-en-2-yl-6,7-dihydroazulen-1-yl)methyl (9E,12E)-octadeca-9,12-dienoate
Manual XrefsDatabases
78434971ChemSpider