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CHEBI:203749 - Ab-5046-B

ChEBI IDCHEBI:203749
ChEBI NameAb-5046-B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10O4
Net Charge0
Average Mass170.164
Monoisotopic Mass170.05791
SMILESCC(=O)C1=C(O)C[C@@H](O)CC1=O
InChIInChI=1S/C8H10O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h5,10-11H,2-3H2,1H3/t5-/m1/s1
InChIKeyCHKRKQARNANJOD-RXMQYKEDSA-N
Species of MetaboliteComponentSourceComments
Nodulisporiumspecies (ncbitaxon:1897413) - PubMed (8294242)
ChEBI Ontology
Outgoing Relation(s)
Ab-5046-B (CHEBI:203749) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
2-acetyl-3,5-dihydroxycyclohex-2-en-1-one
Manual XrefsDatabases
148561ChemSpider