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

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




Chemical Formula:
C42H61O4
Molecular Weight:
629.941 Daltons
Monoisotopic Mass:
630.4648104785999 Daltons
SMILES:
CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C
InChI:
1S/C42H62O4/c1-31(2)15-9-16-32(3)17-10-18-33(4)19-11-20-34(5)21-12-22-35(6)23-13-24-36(7)25-14-26-37(8)27-28-38-29-39(42(45)46)30-40(43)41(38)44/h15,17,19,21,23,25,27,29-30,43-44H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,45,46)/p-1/b32-17+,33-19+,34-21+,35-23+,36-25+,37-27+
InChIKey:
LIEYLSGXGOXYTD-CTBYCIIYSA-M

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

Databases
MetaCyc:  CPD-9903
ChEBI:  84450
PubChem (CID):  54740353
Seed:  cpd25899
MetaNetX:  MNXM9952