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CHEBI:232062 - exophillic acid
| Formula | C38H56O12 |
| Net Charge | 0 |
| Average Mass | 704.854 |
| Monoisotopic Mass | 704.37718 |
| SMILES | CCCCCCCCCc1cc(OC(=O)c2c(CCCCCCCCC)cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)O |
| InChI | InChI=1S/C38H56O12/c1-3-5-7-9-11-13-15-17-24-19-26(40)21-29(49-38-35(44)34(43)33(42)30(23-39)50-38)32(24)37(47)48-27-20-25(31(36(45)46)28(41)22-27)18-16-14-12-10-8-6-4-2/h19-22,30,33-35,38-44H,3-18,23H2,1-2H3,(H,45,46)/t30-,33-,34+,35-,38-/m1/s1 |
| InChIKey | GBXMNTLQBMLGFM-IHQQTPIISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Exophiala pisciphila (ncbitaxon:86051) | - | PubMed (15015729) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. anti-HBV agent An antiviral agent that destroys or inhibits the replication of the hepatitis B virus. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| exophillic acid (CHEBI:232062) has functional parent 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid (CHEBI:232061) |
| exophillic acid (CHEBI:232062) has role anti-HBV agent (CHEBI:64951) |
| exophillic acid (CHEBI:232062) has role fungal metabolite (CHEBI:76946) |
| exophillic acid (CHEBI:232062) is a benzoate ester (CHEBI:36054) |
| exophillic acid (CHEBI:232062) is a monohydroxybenzoic acid (CHEBI:25389) |
| exophillic acid (CHEBI:232062) is a monosaccharide derivative (CHEBI:63367) |
| exophillic acid (CHEBI:232062) is a phenols (CHEBI:33853) |
| exophillic acid (CHEBI:232062) is a β-D-glucoside (CHEBI:22798) |
| exophillic acid (CHEBI:232062) is conjugate acid of exophillate (CHEBI:232029) |
| Incoming Relation(s) |
| phaeomoniecin D (CHEBI:232066) has functional parent exophillic acid (CHEBI:232062) |
| exophillate (CHEBI:232029) is conjugate base of exophillic acid (CHEBI:232062) |
| IUPAC Name |
|---|
| 4-{[2-(β-D-glucopyranosyloxy)-4-hydroxy-6-nonylbenzoyl]oxy}-2-hydroxy-6-nonylbenzoic acid |
| Synonym | Source |
|---|---|
| 4-(2-β-D-glucopyranosyloxy-4-hydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C00015027 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| CAS:676565-22-3 | KNApSAcK |
| Citations |
|---|