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CHEBI:196411 - Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside)
| Formula | C33H28O17 |
| Net Charge | 0 |
| Average Mass | 696.570 |
| Monoisotopic Mass | 696.13265 |
| SMILES | O=C(OCC1OC(c2c(O)cc(O)c(C(=O)c3ccc(O)c(O)c3)c2O)C(OC(=O)c2ccc(O)cc2)C(O)C1O)c1cc(O)c(O)c(O)c1 |
| InChI | InChI=1S/C33H28O17/c34-15-4-1-12(2-5-15)33(47)50-31-29(45)27(43)22(11-48-32(46)14-8-20(39)26(42)21(40)9-14)49-30(31)24-19(38)10-18(37)23(28(24)44)25(41)13-3-6-16(35)17(36)7-13/h1-10,22,27,29-31,34-40,42-45H,11H2 |
| InChIKey | KLKOBSQIPPYKDT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside) (CHEBI:196411) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| [6-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-3,4-dihydroxy-5-(4-hydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Manual Xrefs | Databases |
|---|---|
| 35013696 | ChemSpider |
| HMDB0034068 | HMDB |