Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:26:52 UTC
Update Date2022-08-31 06:24:52 UTC
Metabolite IDMMDBc0006100
Metabolite Identification
Common NameHomononactyl homononactate
Description
Structure
SynonymsNot Available
Molecular FormulaC22H38O7
Average Mass414.539
Monoisotopic Mass414.261753564
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C22H38O7/c1-5-15(23)11-17-7-10-20(27-17)14(4)22(26)29-16(6-2)12-18-8-9-19(28-18)13(3)21(24)25/h13-20,23H,5-12H2,1-4H3,(H,24,25)/t13-,14+,15-,16+,17-,18+,19-,20+/m1/s1
InChI KeyWGVQPPKZKAJDGR-NPCDJYPASA-N