2-octaprenylphenol
Chemical Formula:
C46H70O
Molecular Weight:
639.058 Daltons
Monoisotopic Mass:
638.5426668691 Daltons
SMILES:
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=CC=CC=1))C)C)C)C)C)C)C)C
InChI:
1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+
InChIKey:
Databases
MetaCyc:
2-OCTAPRENYLPHENOL
BiGG:
2oph
DRUGBANK:
DB03232
ChemSpider:
4444381
PubChem (CID):
5280832
ChEBI:
40407
KEGG:
C05810
RefMet:
2-Octaprenylphenol
Seed:
cpd03444
MetaNetX:
MNXM1886