CHEBI:169987 - Isodehydracetic acid

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ChEBI Name Isodehydracetic acid
ChEBI ID CHEBI:169987
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H8O4
Net Charge 0
Average Mass 168.148
Monoisotopic Mass 168.04226
InChI InChI=1S/C8H8O4/c1-4-3-6(9)12-5(2)7(4)8(10)11/h3H,1-2H3,(H,10,11)
InChIKey QOADIMYPCZMZSG-UHFFFAOYSA-N
SMILES O1C(=C(C(=CC1=O)C)C(O)=O)C
Metabolite of Species Details
Mus Musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain C57BL/6N Mouse [THESAURUS.OWL#C37385] See: MetaboLights Study
Mus Musculus (NCBI:txid10090) Found in blood plasma (BTO:0000131). of strain C57BL/6N Mouse [THESAURUS.OWL#C37385] See: MetaboLights Study
ChEBI Ontology
Outgoing Isodehydracetic acid (CHEBI:169987) is a pyranone (CHEBI:37963)
IUPAC Name
2,4-dimethyl-6-oxopyran-3-carboxylic acid
Manual Xref Database
86455 ChemSpider
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Registry Number Type Source
480-65-9 CAS Registry Number ChemIDplus