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CHEBI:198005 - (+)-(3S,6S,7R,8S)-periconone A

ChEBI IDCHEBI:198005
ChEBI Name(+)-(3S,6S,7R,8S)-periconone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESCC(C)=CC[C@H]1C(=O)C2=C(COCC[C@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H22O5/c1-8(2)3-4-9-13(17)12-10(15(19)14(9)18)7-20-6-5-11(12)16/h3,9,11,14-16,18-19H,4-7H2,1-2H3/t9-,11+,14-,15+/m0/s1
InChIKeyASRQXZQRQFZLRC-OCVOHJKQSA-N
Species of MetaboliteComponentSourceComments
Periconia (ncbitaxon:97971) - PubMed (22130377)
ChEBI Ontology
Outgoing Relation(s)
(+)-(3S,6S,7R,8S)-periconone A (CHEBI:198005) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(5R,7R,8S,9R)-5,8,9-trihydroxy-7-(3-methylbut-2-enyl)-3,4,5,7,8,9-hexahydro-1H-2-benzoxepin-6-one
Manual XrefsDatabases
28289475ChemSpider