Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 21:10:01 UTC
Update Date2022-08-31 06:20:12 UTC
Metabolite IDMMDBc0002999
Metabolite Identification
Common NameOctalin
Description
Structure
SynonymsNot Available
Molecular FormulaC12H20
Average Mass164.292
Monoisotopic Mass164.156500644
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C12H20/c1-10-6-5-9-12(2)8-4-3-7-11(10)12/h3,7,10-11H,4-6,8-9H2,1-2H3/t10-,11?,12+/m0/s1
InChI KeyHDVGBFCTHLFNEE-ASKATJPDSA-N