Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 18:40:51 UTC
Update Date2022-08-31 06:17:29 UTC
Metabolite IDMMDBc0001003
Metabolite Identification
Common Name(+)-epoxyserinone B
Description(+)-epoxyserinone B 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 (+)-epoxyserinone B is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC11H14O5
Average Mass226.228
Monoisotopic Mass226.084123551
IUPAC Name(1S,3R)-7-hydroxy-6-methoxy-3,9-dimethyl-2,8-dioxatricyclo[5.3.0.0^{1,3}]dec-5-en-4-one
Traditional Name(1S,3R)-7-hydroxy-6-methoxy-3,9-dimethyl-2,8-dioxatricyclo[5.3.0.0^{1,3}]dec-5-en-4-one
CAS Registry NumberNot Available
SMILES
[H]C1(C)C[C@]23O[C@@]2(C)C(=O)C=C(OC)C3(O)O1
InChI Identifier
InChI=1S/C11H14O5/c1-6-5-10-9(2,16-10)7(12)4-8(14-3)11(10,13)15-6/h4,6,13H,5H2,1-3H3/t6?,9-,10-,11?/m0/s1
InChI KeyGGPRMSQKBVQHAH-NBHGFOHDSA-N