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CHEBI:140297 - 4'-O-demethylsordarin
| Formula | C26H38O8 |
| Net Charge | 0 |
| Average Mass | 478.582 |
| Monoisotopic Mass | 478.25667 |
| SMILES | [H][C@@]1(OC[C@@]23C[C@]4([H])[C@H](C)CC[C@@]4([H])[C@@]4(C=O)C[C@]2([H])C=C(C(C)C)[C@]43C(=O)O)O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C26H38O8/c1-12(2)18-7-15-8-24(10-27)17-6-5-13(3)16(17)9-25(15,26(18,24)23(31)32)11-33-22-21(30)20(29)19(28)14(4)34-22/h7,10,12-17,19-22,28-30H,5-6,8-9,11H2,1-4H3,(H,31,32)/t13-,14-,15+,16-,17-,19-,20-,21+,22-,24+,25+,26+/m1/s1 |
| InChIKey | YTWDSZAPPKUSFS-OIAXQXJYSA-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) |
| 4'-O-demethylsordarin (CHEBI:140297) has role fungal metabolite (CHEBI:76946) |
| 4'-O-demethylsordarin (CHEBI:140297) is a 3-oxo monocarboxylic acid (CHEBI:47881) |
| 4'-O-demethylsordarin (CHEBI:140297) is a aldehyde (CHEBI:17478) |
| 4'-O-demethylsordarin (CHEBI:140297) is a bridged compound (CHEBI:35990) |
| 4'-O-demethylsordarin (CHEBI:140297) is a glycoside (CHEBI:24400) |
| 4'-O-demethylsordarin (CHEBI:140297) is a monosaccharide derivative (CHEBI:63367) |
| 4'-O-demethylsordarin (CHEBI:140297) is a tetracyclic diterpenoid (CHEBI:52557) |
| 4'-O-demethylsordarin (CHEBI:140297) is conjugate acid of 4'-O-demethylsordarin(1−) (CHEBI:140233) |
| Incoming Relation(s) |
| 4'-O-demethylsordarin(1−) (CHEBI:140233) is conjugate base of 4'-O-demethylsordarin (CHEBI:140297) |
| IUPAC Name |
|---|
| (1R,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-β-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid |
| Synonyms | Source |
|---|---|
| 4'-Demethylsordarin | KNApSAcK |
| 4'-O-demethyl sordarin | ChEBI |
| Citations |
|---|