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CHEBI:169422 - 6-Hydroxykaempferol 3,6-diglucoside 7-glucuronide
| Formula | C33H38O23 |
| Net Charge | 0 |
| Average Mass | 802.644 |
| Monoisotopic Mass | 802.18039 |
| SMILES | O=C(O)C1OC(Oc2cc3oc(-c4ccc(O)cc4)c(OC4OC(CO)C(O)C(O)C4O)c(=O)c3c(O)c2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
| InChI | InChI=1S/C33H38O23/c34-6-12-15(37)19(41)23(45)32(52-12)54-27-11(51-31-25(47)21(43)22(44)29(56-31)30(48)49)5-10-14(17(27)39)18(40)28(26(50-10)8-1-3-9(36)4-2-8)55-33-24(46)20(42)16(38)13(7-35)53-33/h1-5,12-13,15-16,19-25,29,31-39,41-47H,6-7H2,(H,48,49) |
| InChIKey | AAKJOZZAGIRTOJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-Hydroxykaempferol 3,6-diglucoside 7-glucuronide (CHEBI:169422) is a flavonoids (CHEBI:72544) |
| 6-Hydroxykaempferol 3,6-diglucoside 7-glucuronide (CHEBI:169422) is a glucosiduronic acid (CHEBI:24302) |
| IUPAC Name |
|---|
| 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-7-yl]oxyoxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0037094 | HMDB |