Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 21:25:54 UTC
Update Date2022-08-31 06:20:49 UTC
Metabolite IDMMDBc0003357
Metabolite Identification
Common NameAspernidine A
DescriptionAspernidine A, also known as emeriphenolicin e, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review a small amount of articles have been published on Aspernidine A.
Structure
Synonyms
ValueSource
Emeriphenolicin eChEBI
Molecular FormulaC24H33NO4
Average Mass399.531
Monoisotopic Mass399.240958547
IUPAC Name5-methoxy-6-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-1H-isoindole-3,7-diol
Traditional Name6-methoxy-5-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-3H-isoindole-1,4-diol
CAS Registry NumberNot Available
SMILES
[H]\C(CC\C(C)=C(/[H])COC1=C(OC)C=C2C(O)=NCC2=C1O)=C(\C)CCC=C(C)C
InChI Identifier
InChI=1S/C24H33NO4/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-29-23-21(28-5)14-19-20(22(23)26)15-25-24(19)27/h8,10,12,14,26H,6-7,9,11,13,15H2,1-5H3,(H,25,27)/b17-10+,18-12+
InChI KeyPHOZASLNSDMYGR-VZRGJMDUSA-N