Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:56:28 UTC
Update Date2024-04-30 19:35:25 UTC
Metabolite IDMMDBc0018772
Metabolite Identification
Common NameHericenone C
DescriptionHericenone C 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 Hericenone C.
Structure
Synonyms
ValueSource
[4-(3,7-Dimethyl-5-oxoocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl]methyl hexadecanoic acidHMDB
Hericenone CMeSH
Molecular FormulaC35H54O6
Average Mass570.7997
Monoisotopic Mass570.39203946
IUPAC Name{4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl hexadecanoate
Traditional Name{4-[(2E)-3,7-dimethyl-5-oxoocta-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)CC(=O)C=C(C)C)C(O)=C1C=O
InChI Identifier
InChI=1S/C35H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(38)41-26-29-24-33(40-5)31(35(39)32(29)25-36)21-20-28(4)23-30(37)22-27(2)3/h20,22,24-25,39H,6-19,21,23,26H2,1-5H3/b28-20+
InChI KeyOGYBKWUOLWCQDS-VFCFBJKWSA-N