EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H32O13 |
| Net Charge | 0 |
| Average Mass | 504.485 |
| Monoisotopic Mass | 504.18429 |
| SMILES | CCC(C)C(=O)c1c(O)cc(O)cc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O |
| InChI | InChI=1S/C22H32O13/c1-3-9(2)15(26)14-11(25)4-10(24)5-12(14)34-20-18(29)17(28)16(27)13(35-20)6-32-21-19(30)22(31,7-23)8-33-21/h4-5,9,13,16-21,23-25,27-31H,3,6-8H2,1-2H3 |
| InChIKey | MXXCYHQPSVRPOP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] (CHEBI:173280) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 1-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,6-dihydroxyphenyl]-2-methylbutan-1-one |
| Manual Xrefs | Databases |
|---|---|
| HMDB0039930 | HMDB |