Clitocybulol B (CHEBI:223614)

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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	Clitocybulol B

ChEBI ID	CHEBI:223614

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H24O3

Net Charge

Average Mass

264.365

Monoisotopic Mass

264.17254

InChI

InChI=1S/C16H24O3/c1-10-6-15(18-5)16(17,11(2)9-19-15)13-8-14(3,4)7-12(10)13/h10,17H,2,6-9H2,1,3-5H3/t10-,15+,16+/m0/s1

InChIKey

AZRNIYBMPDJCCN-AMKSKSKJSA-N

SMILES

O1[C@@]2(OC)[C@](O)(C3=C(CC(C3)(C)C)[C@H](C2)C)C(C1)=C

Metabolite of Species	Details
Clitocybula oculus (NCBI:txid182040)	See: DOI

ChEBI Ontology
Outgoing	Clitocybulol B (CHEBI:223614) is a ketal (CHEBI:59777)

IUPAC Name

(3aR,5S,8bS)-3a-methoxy-5,7,7-trimethyl-1-methylidene-4,5,6,8-tetrahydrocyclopenta[e][1]benzouran-8b-ol