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CHEBI:232066 - phaeomoniecin D
| Formula | C44H66O17 |
| Net Charge | 0 |
| Average Mass | 866.995 |
| Monoisotopic Mass | 866.43000 |
| SMILES | CCCCCCCCCc1cc(OC(=O)c2c(CCCCCCCCC)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)O |
| InChI | InChI=1S/C44H66O17/c1-3-5-7-9-11-13-15-17-25-19-27(21-29(47)33(25)41(54)55)57-42(56)34-26(18-16-14-12-10-8-6-4-2)20-28(58-43-39(52)37(50)35(48)31(23-45)60-43)22-30(34)59-44-40(53)38(51)36(49)32(24-46)61-44/h19-22,31-32,35-40,43-53H,3-18,23-24H2,1-2H3,(H,54,55)/t31-,32-,35+,36-,37+,38+,39-,40-,43-,44-/m1/s1 |
| InChIKey | RFNVSJROQFSJNW-ZIFFENNXSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| phaeomoniecin D (CHEBI:232066) has functional parent exophillic acid (CHEBI:232062) |
| phaeomoniecin D (CHEBI:232066) has role fungal metabolite (CHEBI:76946) |
| phaeomoniecin D (CHEBI:232066) is a benzoate ester (CHEBI:36054) |
| phaeomoniecin D (CHEBI:232066) is a monohydroxybenzoic acid (CHEBI:25389) |
| phaeomoniecin D (CHEBI:232066) is a monosaccharide derivative (CHEBI:63367) |
| phaeomoniecin D (CHEBI:232066) is a β-D-galactoside (CHEBI:28034) |
| phaeomoniecin D (CHEBI:232066) is a β-D-glucoside (CHEBI:22798) |
| phaeomoniecin D (CHEBI:232066) is conjugate acid of phaeomoniecin D(1−) (CHEBI:232032) |
| Incoming Relation(s) |
| phaeomoniecin D(1−) (CHEBI:232032) is conjugate base of phaeomoniecin D (CHEBI:232066) |
| IUPAC Name |
|---|
| 4-{[4-(β-D-galactopyranosyloxy)-2-(β-D-glucopyranosyloxy)-6-nonylbenzoyl]oxy}-2-hydroxy-6-nonylbenzoic acid |
| Citations |
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