EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C30H50O9 |
| Net Charge | 0 |
| Average Mass | 554.721 |
| Monoisotopic Mass | 554.34548 |
| SMILES | C[C@H](CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O |
| InChI | InChI=1S/C30H50O9/c1-21(38-30-28(35)27(34)26(33)24(20-31)39-30)16-13-11-9-7-5-3-2-4-6-8-10-12-14-17-22-18-15-19-23(32)25(22)29(36)37/h15,18-19,21,24,26-28,30-35H,2-14,16-17,20H2,1H3,(H,36,37)/t21-,24?,26-,27?,28?,30-/m1/s1 |
| InChIKey | ODOOFVGHZRHKCR-ODUCGURHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-(16-D-Mannosyl-heptadecanyl)-salicylic (CHEBI:199446) is a O-acyl carbohydrate (CHEBI:52782) |
| IUPAC Name |
|---|
| 2-hydroxy-6-[(16R)-16-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadecyl]benzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78445042 | ChemSpider |