Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:36:28 UTC
Update Date2022-08-31 06:22:54 UTC
Metabolite IDMMDBc0004739
Metabolite Identification
Common NameEupenicisirenin A
DescriptionEupenicisirenin A belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review very few articles have been published on Eupenicisirenin A.
Structure
SynonymsNot Available
Molecular FormulaC15H22O3
Average Mass250.338
Monoisotopic Mass250.156894568
IUPAC Name(1R,5S,6S,7S)-5-hydroxy-7-methyl-7-(4-methylpent-3-en-1-yl)bicyclo[4.1.0]hept-2-ene-3-carboxylic acid
Traditional Name(1R,5S,6S,7S)-5-hydroxy-7-methyl-7-(4-methylpent-3-en-1-yl)bicyclo[4.1.0]hept-2-ene-3-carboxylic acid
CAS Registry NumberNot Available
SMILES
[H][C@@]12C=C(C[C@]([H])(O)[C@]1([H])[C@@]2(C)CCC=C(C)C)C(O)=O
InChI Identifier
InChI=1S/C15H22O3/c1-9(2)5-4-6-15(3)11-7-10(14(17)18)8-12(16)13(11)15/h5,7,11-13,16H,4,6,8H2,1-3H3,(H,17,18)/t11-,12+,13-,15+/m1/s1
InChI KeyFDIVBBVUHYDHDS-COMQUAJESA-N