3,4-dihydroxy-5-all-trans-nonaprenylbenzoate

3,4-dihydroxy-5-<i>all-trans</i>-nonaprenylbenzoate




Chemical Formula:
C52H77O4
Molecular Weight:
766.178 Daltons
Monoisotopic Mass:
766.5900109922 Daltons
SMILES:
CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C)C)C
InChI:
1S/C52H78O4/c1-39(2)19-11-20-40(3)21-12-22-41(4)23-13-24-42(5)25-14-26-43(6)27-15-28-44(7)29-16-30-45(8)31-17-32-46(9)33-18-34-47(10)35-36-48-37-49(52(55)56)38-50(53)51(48)54/h19,21,23,25,27,29,31,33,35,37-38,53-54H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,55,56)/p-1/b40-21+,41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+
InChIKey:
FMSCZYMOUYOENK-OPSRSWOASA-M

Synonyms
  • 3-(3,7,11,15,19,23-nonamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
  • 3-nonaprenyl-4,5-dihydroxybenzoate

Databases
MetaCyc:  CPD-9896
ChEBI:  62789
PubChem (CID):  54738024
Seed:  cpd25895
MetaNetX:  MNXM10069