CHEBI:207657 - Cetoniacytone B

ChEBI IDCHEBI:207657
ChEBI NameCetoniacytone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H9NO4
Net Charge0
Average Mass171.152
Monoisotopic Mass171.05316
SMILESNC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O
InChIInChI=1S/C7H9NO4/c8-3-1-4(10)7(2-9)6(12-7)5(3)11/h1,5-6,9,11H,2,8H2/t5-,6+,7-/m0/s1
InChIKeyJKNVJVJEQNRUFL-XVMARJQXSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (12243453)
ChEBI Ontology
Outgoing Relation(s)
Cetoniacytone B (CHEBI:207657) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,5S,6R)-4-amino-5-hydroxy-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
Manual XrefsDatabases
8527588ChemSpider
C21249KEGG COMPOUND