CHEBI:171932 - xi-Pinol

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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 xi-Pinol
ChEBI ID CHEBI:171932
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H16O
Net Charge 0
Average Mass 152.237
Monoisotopic Mass 152.12012
InChI InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3
InChIKey SKBXVAOMEVOTGJ-UHFFFAOYSA-N
SMILES O1C(C2CC1C(=CC2)C)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). See: MetaboLights Study
ChEBI Ontology
Outgoing xi-Pinol (CHEBI:171932) is a oxolanes (CHEBI:26912)
IUPAC Name
4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene
Manual Xrefs Databases
91391 ChemSpider
HMDB0038251 HMDB
View more database links
Registry Number Type Source
2437-97-0 CAS Registry Number ChemIDplus