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CHEBI:200147 - Isovellerdiol

ChEBI IDCHEBI:200147
ChEBI NameIsovellerdiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESCC1(C)C[C@@H]2[C@@H](C=C(CO)[C@@]3(CO)C[C@@]23C)C1
InChIInChI=1S/C15H24O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,10,12,16-17H,5-9H2,1-3H3/t10-,12+,14-,15-/m0/s1
InChIKeyPXOZBWDPKXNHFQ-FDEJFUCISA-N
Species of MetaboliteComponentSourceComments
Russula cuprea (ncbitaxon:176790) - DOI (10.1016/s0031-9422(97)00259-8)
ChEBI Ontology
Outgoing Relation(s)
Isovellerdiol (CHEBI:200147) is a primary alcohol (CHEBI:15734)
IUPAC Name 
[(1aR,3aR,6aR,6bS)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol
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78436586ChemSpider