2-demethylmenaquinone-9
Chemical Formula:
C55H78O2
Molecular Weight:
771.22 Daltons
Monoisotopic Mass:
770.600181748 Daltons
SMILES:
CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=O)C2(C=CC=CC(C(=O)1)=2)))C
InChI:
1S/C55H78O2/c1-42(2)21-13-22-43(3)23-14-24-44(4)25-15-26-45(5)27-16-28-46(6)29-17-30-47(7)31-18-32-48(8)33-19-34-49(9)35-20-36-50(10)39-40-51-41-54(56)52-37-11-12-38-53(52)55(51)57/h11-12,21,23,25,27,29,31,33,35,37-39,41H,13-20,22,24,26,28,30,32,34,36,40H2,1-10H3/b43-23+,44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-39+
InChIKey:
Databases
MetaCyc:
CPD-9733
PubChem (CID):
25245235
Seed:
cpd25805
MetaNetX:
MNXM17204