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CHEBI:213764 - 2-Acetoxyrhizopogone

ChEBI IDCHEBI:213764
ChEBI Name2-Acetoxyrhizopogone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O6
Net Charge0
Average Mass468.590
Monoisotopic Mass468.25119
SMILESCC(=O)OC12C(=O)C(=O)C(=C(O)C1=O)C/C=C(/C)CC/C=C(/C)CC/C=C(/C)C[C@H]2C=C(C)C
InChIInChI=1S/C28H36O6/c1-17(2)15-22-16-20(5)12-8-10-18(3)9-7-11-19(4)13-14-23-24(30)26(32)28(22,34-21(6)29)27(33)25(23)31/h9,12-13,15,22,30H,7-8,10-11,14,16H2,1-6H3/b18-9-,19-13-,20-12-/t22-,28?/m1/s1
InChIKeyBFLVHVWVDWTKSG-SXHWZVCWSA-N
Species of MetaboliteComponentSourceComments
Rhizopogon (ncbitaxon:5375) - PubMed (19175325)
ChEBI Ontology
Outgoing Relation(s)
2-Acetoxyrhizopogone (CHEBI:213764) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(2S,4Z,8Z,12Z)-16-hydroxy-4,8,12-trimethyl-2-(2-methylprop-1-enyl)-17,18,19-trioxo-1-bicyclo[13.2.2]nonadeca-4,8,12,15-tetraenyl] acetate
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78438046ChemSpider