CHEBI:172466 - Allixin

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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 Allixin
ChEBI ID CHEBI:172466
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H18O4
Net Charge 0
Average Mass 226.272
Monoisotopic Mass 226.12051
InChI InChI=1S/C12H18O4/c1-4-5-6-7-9-10(13)11(14)12(15-3)8(2)16-9/h13H,4-7H2,1-3H3
InChIKey OHRPDNHRQKOLGN-UHFFFAOYSA-N
SMILES O1C(CCCCC)=C(O)C(=O)C(OC)=C1C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Allixin (CHEBI:172466) is a pyranone (CHEBI:37963)
IUPAC Name
5-hydroxy-3-methoxy-2-methyl-6-pentylpyran-4-one
Manual Xrefs Databases
77892 ChemSpider
HMDB0040705 HMDB
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Registry Number Type Source
125263-70-9 CAS Registry Number ChemIDplus