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CHEBI:226017 - Kribelloside C
| Formula | C31H58O14 |
| Net Charge | 0 |
| Average Mass | 654.791 |
| Monoisotopic Mass | 654.38266 |
| SMILES | CC(C)CCCCCCCCCCCCCOC[C@@H](O)CO[C@H]1O[C@H](C(=O)O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C31H58O14/c1-19(2)14-12-10-8-6-4-3-5-7-9-11-13-15-41-17-20(33)18-42-30-26(38)24(36)27(28(45-30)29(39)40)44-31-25(37)23(35)22(34)21(16-32)43-31/h19-28,30-38H,3-18H2,1-2H3,(H,39,40)/t20-,21-,22-,23+,24-,25-,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | PWFIVZRFOXSAGL-TVHAUXECSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Kribbellaspecies MI481-42F6 (ncbitaxon:1642301) | - | PubMed (28074052) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Kribelloside C (CHEBI:226017) is a O-acyl carbohydrate (CHEBI:52782) |
| IUPAC Name |
|---|
| (2S,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R)-2-hydroxy-3-(14-methylpentadecoxy)propoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78438793 | ChemSpider |