Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 19:36:10 UTC
Update Date2022-08-31 06:18:01 UTC
Metabolite IDMMDBc0001365
Metabolite Identification
Common Name(+)-(3S,6S,7R,8S)-periconone A
Description(+)-(3S,6S,7R,8S)-Periconone A belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond (+)-(3S,6S,7R,8S)-Periconone A is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC15H22O5
Average Mass282.336
Monoisotopic Mass282.146723808
IUPAC Name5,8,9-trihydroxy-7-(3-methylbut-3-en-1-yl)-1,3,4,5,6,7,8,9-octahydro-2-benzoxepin-6-one
Traditional Name5,8,9-trihydroxy-7-(3-methylbut-3-en-1-yl)-3,4,5,7,8,9-hexahydro-1H-2-benzoxepin-6-one
CAS Registry NumberNot Available
SMILES
CC(=C)CCC1C(O)C(O)C2=C(C(O)CCOC2)C1=O
InChI Identifier
InChI=1S/C15H22O5/c1-8(2)3-4-9-13(17)12-10(15(19)14(9)18)7-20-6-5-11(12)16/h9,11,14-16,18-19H,1,3-7H2,2H3
InChI KeyCDEROYTUDZRONJ-UHFFFAOYSA-N