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CHEBI:171949 - Anethofuran

ChEBI IDCHEBI:171949
ChEBI NameAnethofuran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILES[H][C@@]12CCC(C)=C[C@]1([H])OC[C@H]2C
InChIInChI=1S/C10H16O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,8-10H,3-4,6H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeyKBPPPUZMFQKLNP-UTLUCORTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Anethofuran (CHEBI:171949) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S,3aS,7aR)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzouran
Manual XrefsDatabases
112438ChemSpider
Registry NumbersSources
CAS:74410-10-9ChemIDplus