Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:11:01 UTC
Update Date2022-08-12 20:09:29 UTC
Metabolite IDMMDBc0055928
Metabolite Identification
Common Namedihydroouabain
Description
Structure
SynonymsNot Available
Molecular FormulaC29H46O12
Average Mass586.675
Monoisotopic Mass586.298926921
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3/t13-,14?,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
InChI KeyZTFGOPUOTATSAL-CFVDWFIMSA-N