Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:41:48 UTC
Update Date2022-08-31 06:27:26 UTC
Metabolite IDMMDBc0007548
Metabolite Identification
Common NameLorneic acid A
DescriptionLorneic acid A, also known as lorneate a, belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. Based on a literature review very few articles have been published on Lorneic acid A.
Structure
Synonyms
ValueSource
Lorneate aGenerator
Molecular FormulaC17H22O2
Average Mass258.361
Monoisotopic Mass258.161979948
IUPAC Name(3E)-4-{2-[(1E)-hex-1-en-1-yl]-4-methylphenyl}but-3-enoic acid
Traditional Name(3E)-4-{2-[(1E)-hex-1-en-1-yl]-4-methylphenyl}but-3-enoic acid
CAS Registry NumberNot Available
SMILES
[H]\C(CCCC)=C(\[H])C1=C(C=CC(C)=C1)\C(\[H])=C(/[H])CC(O)=O
InChI Identifier
InChI=1S/C17H22O2/c1-3-4-5-6-8-16-13-14(2)11-12-15(16)9-7-10-17(18)19/h6-9,11-13H,3-5,10H2,1-2H3,(H,18,19)/b8-6+,9-7+
InChI KeyBPISPUIKHXBPSU-CDJQDVQCSA-N