Isovellerdiol (CHEBI:200147)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Isovellerdiol

ChEBI ID	CHEBI:200147

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O2

Net Charge

Average Mass

236.355

Monoisotopic Mass

236.17763

InChI

InChI=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

InChIKey

PXOZBWDPKXNHFQ-FDEJFUCISA-N

SMILES

OCC1=C[C@@H]2[C@@H](CC(C2)(C)C)[C@]3([C@@]1(C3)CO)C

Metabolite of Species	Details
Russula cuprea (NCBI:txid176790)	See: DOI

ChEBI Ontology
Outgoing	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