Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 03:25:48 UTC
Update Date2022-12-15 22:51:44 UTC
Metabolite IDMMDBc0011623
Metabolite Identification
Common NameHericenone B
DescriptionHericenone B belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. Based on a literature review very few articles have been published on Hericenone B.
Structure
SynonymsNot Available
Molecular FormulaC27H31NO4
Average Mass433.548
Monoisotopic Mass433.225308482
IUPAC Name6-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-1-one
Traditional Name6-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
CAS Registry NumberNot Available
SMILES
[H]C(CC1=C(OC)C=C2CN(CCC3=CC=CC=C3)C(=O)C2=C1O)=C(C)CC(=O)C=C(C)C
InChI Identifier
InChI=1S/C27H31NO4/c1-18(2)14-22(29)15-19(3)10-11-23-24(32-4)16-21-17-28(27(31)25(21)26(23)30)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10+
InChI KeyZJTHOPGQZOXEJX-VXLYETTFSA-N