3-octaprenyl-4-hydroxybenzoate
Chemical Formula:
C47H69O3
Molecular Weight:
682.06 Daltons
Monoisotopic Mass:
682.5324961133 Daltons
SMILES:
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C
InChI:
1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/p-1/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+
InChIKey:
Databases
MetaCyc:
3-OCTAPRENYL-4-HYDROXYBENZOATE
BiGG:
3ophb
ChemSpider:
5256806
PubChem (CID):
54685638
ChEBI:
1617
KEGG:
C05809
Seed:
cpd03443
MetaNetX:
MNXM2195