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CHEBI:62791 - 3-nonaprenyl-4-hydroxy-5-methoxybenzoate
| Formula | C53H79O4 |
| Net Charge | -1 |
| Average Mass | 780.211 |
| Monoisotopic Mass | 779.59838 |
| SMILES | COc1cc(C(=O)[O-])cc(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O |
| InChI | InChI=1S/C53H80O4/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-49-38-50(53(55)56)39-51(57-11)52(49)54/h20,22,24,26,28,30,32,34,36,38-39,54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3,(H,55,56)/p-1/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+ |
| InChIKey | FDPPBYXDOXRDHA-JSGWLJPKSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-nonaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:62791) is a 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate (CHEBI:84443) |
| 3-nonaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:62791) is conjugate base of 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) |
| Incoming Relation(s) |
| 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) is conjugate acid of 3-nonaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:62791) |
| IUPAC Name |
|---|
| 4-hydroxy-3-methoxy-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzoate |
| Synonyms | Source |
|---|---|
| all-trans-3-nonaprenyl-4-hydroxy-5-methoxybenzoate | ChEBI |
| 4-hydroxy-3-methoxy-5-nonaprenylbenzoate | ChEBI |
| all-trans-4-hydroxy-3-methoxy-5-nonaprenylbenzoate | ChEBI |
| 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate | MetaCyc |
| 3-methoxy-4-hydroxy-5-nonaprenylbenzoate | MetaCyc |
| UniProt Name | Source |
|---|---|
| 4-hydroxy-3-methoxy-(5-all-trans-nonaprenyl)benzoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-9898 | MetaCyc |