EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C43H66O16 |
| Net Charge | 0 |
| Average Mass | 838.985 |
| Monoisotopic Mass | 838.43509 |
| SMILES | CCCCCC(=O)OCC1OC(OC2C(CO)OC(c3c(O)cc(O)cc3CO)C(O)C2OC(=O)/C=C/C=C/CC(O)C(C)CCC/C=C/C(C)CC)C(O)C(O)C1O |
| InChI | InChI=1S/C43H66O16/c1-5-7-10-18-33(49)55-24-32-36(51)37(52)38(53)43(57-32)59-40-31(23-45)56-41(35-27(22-44)20-28(46)21-30(35)48)39(54)42(40)58-34(50)19-14-9-13-17-29(47)26(4)16-12-8-11-15-25(3)6-2/h9,11,13-15,19-21,25-26,29,31-32,36-48,51-54H,5-8,10,12,16-18,22-24H2,1-4H3/b13-9+,15-11+,19-14+ |
| InChIKey | VLKWHNCYEWBIHV-ILCQEIOASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| F-10748 D2 (CHEBI:202369) is a lipopolysaccharide (CHEBI:16412) |
| IUPAC Name |
|---|
| [2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-5-[6-(hexanoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,12E)-7-hydroxy-8,14-dimethylhexadeca-2,4,12-trienoate |
| Manual Xrefs | Databases |
|---|---|
| 8163667 | ChemSpider |