3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate

3-methoxy-4-hydroxy-5-<i>all-trans</i>-decaprenylbenzoate




Chemical Formula:
C58H87O4
Molecular Weight:
848.323 Daltons
Monoisotopic Mass:
848.6682613132 Daltons
SMILES:
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C)C)C)C)C
InChI:
1S/C58H88O4/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58(60)61)43-56(62-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43,59H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3,(H,60,61)/p-1/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+
InChIKey:
WCQCNOIKXGNDLX-RDSVHMIISA-M

Synonyms
  • 3-methoxy-4-hydroxy-5-decaprenylbenzoate
  • 3-(3,7,11,15,19,23-decamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid
  • 3-decaprenyl-4-hydroxy-5-methoxybenzoate

Databases
MetaCyc:  CPD-9897
ChEBI:  62796
PubChem (CID):  54738023
Reactome:  2162215
Seed:  cpd25896
MetaNetX:  MNXM5516