CHEBI:230885 - 4-Hydroxy-3-methyl-2-(2-propynyl)-2-cyclopentene-1-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 4-Hydroxy-3-methyl-2-(2-propynyl)-2-cyclopentene-1-one
ChEBI ID CHEBI:230885
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H10O2
Net Charge 0
Average Mass 150.177
Monoisotopic Mass 150.06808
InChI InChI=1S/C9H10O2/c1-3-4-7-6(2)8(10)5-9(7)11/h1,8,10H,4-5H2,2H3
InChIKey ISFGTDAAYLSOFY-UHFFFAOYSA-N
SMILES OC1CC(=O)C(=C1C)CC#C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Hydroxy-3-methyl-2-(2-propynyl)-2-cyclopentene-1-one (CHEBI:230885) is a secondary alcohol (CHEBI:35681)
IUPAC Name
4-hydroxy-3-methyl-2-prop-2-ynylcyclopent-2-en-1-one
Manual Xrefs Databases
11312637 ChemSpider
HMDB0246651 HMDB
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