CHEBI:171949 - Anethofuran

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ChEBI Name Anethofuran
ChEBI ID CHEBI:171949
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/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,8-10H,3-4,6H2,1-2H3/t8-,9+,10+/m1/s1
InChIKey KBPPPUZMFQKLNP-UTLUCORTSA-N
SMILES O1[C@@]2([C@]([C@@H](C1)C)(CCC(=C2)C)[H])[H]
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 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 Xref Database
112438 ChemSpider
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Registry Number Type Source
74410-10-9 CAS Registry Number ChemIDplus