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CHEBI:191751 - 6'-Malonyltrifolirhizin
| Formula | C25H24O13 |
| Net Charge | 0 |
| Average Mass | 532.454 |
| Monoisotopic Mass | 532.12169 |
| SMILES | O=C(O)CC(=O)OCC1OC(Oc2ccc3c(c2)OCC2c4cc5c(cc4OC32)OCO5)C(O)C(O)C1O |
| InChI | InChI=1S/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27) |
| InChIKey | ZHXRWFOBROFZAC-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) | ||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6'-Malonyltrifolirhizin (CHEBI:191751) is a pterocarpans (CHEBI:26377) |
| IUPAC Name |
|---|
| 3-oxo-3-[[3,4,5-trihydroxy-6-(5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yloxy)oxan-2-yl]methoxy]propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0039246 | HMDB |