Scopariol (CHEBI:214719)

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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	Scopariol

ChEBI ID	CHEBI:214719

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/c1-11-5-6-14(4,17)12(2)15(11)9-7-13(3,16)8-10-15/h5,7,9,16-17H,2,6,8,10H2,1,3-4H3/t13-,14-,15-/m0/s1

InChIKey

LWILYKOQWHWUQO-KKUMJFAQSA-N

SMILES

O[C@@]1(C(=C)[C@@]2(C(C)=CC1)C=C[C@@](O)(C)CC2)C

ChEBI Ontology
Outgoing	Scopariol (CHEBI:214719) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(4S,6R,9R)-1,4,9-trimethyl-5-methylidenespiro[5.5]undeca-1,10-diene-4,9-diol