CHEBI:171963 - 3-Pinanone

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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 3-Pinanone
ChEBI ID CHEBI:171963
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/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3
InChIKey MQPHVIPKLRXGDJ-UHFFFAOYSA-N
SMILES O=C1C(C2C(C(C2)C1)(C)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Pinanone (CHEBI:171963) is a monoterpenoid (CHEBI:25409)
IUPAC Name
2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Manual Xrefs Databases
10570 ChemSpider
HMDB0035656 HMDB
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