Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:08:45 UTC
Update Date2024-04-30 19:35:27 UTC
Metabolite IDMMDBc0019012
Metabolite Identification
Common NameHericene A
DescriptionHericene A belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Based on a literature review a small amount of articles have been published on Hericene A.
Structure
Synonyms
ValueSource
[4-(3,7-Dimethylocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl]methyl hexadecanoic acidHMDB
Molecular FormulaC35H56O5
Average Mass556.8161
Monoisotopic Mass556.412774902
IUPAC Name{4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl hexadecanoate
Traditional Name{4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl hexadecanoate
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O
InChI Identifier
InChI=1S/C35H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34(37)40-27-30-25-33(39-5)31(35(38)32(30)26-36)24-23-29(4)21-19-20-28(2)3/h20,23,25-26,38H,6-19,21-22,24,27H2,1-5H3/b29-23+
InChI KeyPLUINHYLFTYIKB-BYNJWEBRSA-N