Scrobicalol (CHEBI:220894)

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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	Scrobicalol

ChEBI ID	CHEBI:220894

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O2

Net Charge

Average Mass

234.339

Monoisotopic Mass

234.16198

InChI

InChI=1S/C15H22O2/c1-10-4-12(8-16)13(9-17)5-11-6-15(2,3)7-14(10)11/h5,9-10,12,16H,4,6-8H2,1-3H3/t10-,12+/m1/s1

InChIKey

GSICEBAAGIKPSQ-PWSUYJOCSA-N

SMILES

O=CC1=CC2=C(CC(C2)(C)C)[C@@H](C[C@H]1CO)C

Metabolite of Species	Details
Lactarius scrobiculatus (NCBI:txid93011)	See: DOI

ChEBI Ontology
Outgoing	Scrobicalol (CHEBI:220894) is a primary alcohol (CHEBI:15734)

IUPAC Name

(6R,8R)-6-(hydroxymethyl)-2,2,8-trimethyl-3,6,7,8-tetrahydro-1H-azulene-5-carbaldehyde