Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:39:35 UTC
Update Date2022-08-31 18:21:51 UTC
Metabolite IDMMDBc0031569
Metabolite Identification
Common Name2-Demethylmenaquinol 8
Description2-demethylmenaquinol 8 belongs to the class of Tetraterpenes. These are terpene molecules containing 10 consecutively linked isoprene units. (inferred from compound structure)
Structure
Synonyms
ValueSource
Demethylmenaquinol-8ChEBI
DMKH2-8ChEBI
Molecular FormulaC50H72O2
Average Mass705.1055
Monoisotopic Mass704.553231548
IUPAC Name2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]naphthalene-1,4-diol
Traditional Name2-demethylmenaquinol-8
CAS Registry NumberNot Available
SMILES
[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(O)C2=CC=CC=C2C(O)=C1)=C(\C)CCC=C(C)C
InChI Identifier
InChI=1S/C50H72O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37,51-52H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-35+
InChI KeyFGYPGICSXJEKCG-AENDIINCSA-N