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CHEBI:226007 - Kribelloside A
| Formula | C30H56O14 |
| Net Charge | 0 |
| Average Mass | 640.764 |
| Monoisotopic Mass | 640.36701 |
| SMILES | CC(C)CCCCCCCCCCCCOC[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/C30H56O14/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-40-16-19(32)17-41-29-25(37)23(35)26(27(44-29)28(38)39)43-30-24(36)22(34)21(33)20(15-31)42-30/h18-27,29-37H,3-17H2,1-2H3,(H,38,39)/t19-,20-,21-,22+,23-,24-,25-,26+,27+,29+,30-/m1/s1 |
| InChIKey | NCUNERZXIWISND-LCSVYKMSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Kribbellaspecies MI481-42F6 (ncbitaxon:1642301) | - | PubMed (28074052) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Kribelloside A (CHEBI:226007) is a O-acyl carbohydrate (CHEBI:52782) |
| IUPAC Name |
|---|
| (2S,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R)-2-hydroxy-3-(13-methyltetradecoxy)propoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78438791 | ChemSpider |