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CHEBI:213580 - Mitibetaimol A oleate

ChEBI IDCHEBI:213580
ChEBI NameMitibetaimol A oleate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O3
Net Charge0
Average Mass498.792
Monoisotopic Mass498.40730
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)C(=O)/C=C/C1(C)C
InChIInChI=1S/C33H54O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-32(35)36-31-27-28(2)22-21-23-29(3)30(34)25-26-33(31,4)5/h13-14,23,25-27,31H,6-12,15-22,24H2,1-5H3/b14-13-,26-25+,28-27+,29-23+/t31-/m1/s1
InChIKeyVWMWIYJXXDPELX-DUWPFLCLSA-N
Species of MetaboliteComponentSourceComments
Lactarius mitissimus (ncbitaxon:118866) - PubMed (16989534)
ChEBI Ontology
Outgoing Relation(s)
Mitibetaimol A oleate (CHEBI:213580) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2E,6E,9E)-3,7,11,11-tetramethyl-8-oxocycloundeca-2,6,9-trien-1-yl] (Z)-octadec-9-enoate
Manual XrefsDatabases
78441128ChemSpider