Molecule Identification Common Name 3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate Definition 3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate is also known as 4-Hydroxy-3-methoxy-5-decaprenylbenzoate. 3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate is considered to be practically insoluble (in water) and acidic. 3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate can be found throughout numerous foods such as Napa cabbages, Jujubes, Red huckleberries, and Jew's ears Structure [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=CC(=CC(OC)=C1[O-])C(O)=O)=C(\C)CCC=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+ Synonyms Value Source 3-Methoxy-4-hydroxy-5-decaprenylbenzoate ChEBI 4-Hydroxy-3-methoxy-5-decaprenylbenzoate ChEBI all-trans-3-Decaprenyl-4-hydroxy-5-methoxybenzoate ChEBI all-trans-4-Hydroxy-3-methoxy-5-decaprenylbenzoate ChEBI 3-Methoxy-4-hydroxy-5-decaprenylbenzoic acid Generator 4-Hydroxy-3-methoxy-5-decaprenylbenzoic acid Generator all-trans-3-Decaprenyl-4-hydroxy-5-methoxybenzoic acid Generator all-trans-4-Hydroxy-3-methoxy-5-decaprenylbenzoic acid Generator 3-Methoxy-4-hydroxy-5-all-trans-decaprenylbenzoic acid Generator 3-Methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate ChEBI 3-Decaprenyl-4-hydroxy-5-methoxybenzoic acid Generator
Chemical Formula C58 H87 O4 Average Molecular Weight 848.331 Monoisotopic Molecular Weight 847.660984861 IUPAC Name 4-carboxy-2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-6-methoxybenzen-1-olate Traditional Name 4-carboxy-2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-6-methoxybenzenolate CAS Registry Number None SMILES [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=CC(=CC(OC)=C1[O-])C(O)=O)=C(\C)CCC=C(C)C
InChI Identifier 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+
InChI Key WCQCNOIKXGNDLX-RDSVHMIISA-M 
