Darwinol (CHEBI:171940)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Darwinol

ChEBI ID	CHEBI:171940

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H16O

Net Charge

Average Mass

152.237

Monoisotopic Mass

152.12012

InChI

InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m1/s1

InChIKey

RXBQNMWIQKOSCS-RKDXNWHRSA-N

SMILES

OCC=1[C@@]2(C([C@@](C2)(CC1)[H])(C)C)[H]

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study

ChEBI Ontology
Outgoing	Darwinol (CHEBI:171940) is a monoterpenoid (CHEBI:25409)

IUPAC Name

[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol