6-(all-trans-decaprenyl)-2-methoxy-phenol
Chemical Formula:
C57H88O2
Molecular Weight:
805.321 Daltons
Monoisotopic Mass:
804.678432069 Daltons
SMILES:
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C)C)C)C)C
InChI:
1S/C57H88O2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)43-44-55-41-22-42-56(59-12)57(55)58/h22-23,25,27,29,31,33,35,37,39,41-43,58H,13-21,24,26,28,30,32,34,36,38,40,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-43+
InChIKey:
Databases
MetaCyc:
CPD-9865
MetaboLights:
MTBLC50774
HMDB:
HMDB60250
PubChem (CID):
25010760
ChEBI:
50774
Reactome:
2162208
Seed:
cpd25881
MetaNetX:
MNXM4967