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CHEBI:168434 - Bisdemalonylsalviadelphin
| Formula | C36H37O20 |
| Net Charge | +1 |
| Average Mass | 789.672 |
| Monoisotopic Mass | 789.18727 |
| SMILES | O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)[C@H]1O |
| InChI | InChI=1S/C36H36O20/c37-11-24-28(45)30(47)32(49)35(55-24)53-22-9-15(38)8-21-16(22)10-23(34(52-21)14-6-19(41)27(44)20(42)7-14)54-36-33(50)31(48)29(46)25(56-36)12-51-26(43)4-2-13-1-3-17(39)18(40)5-13/h1-10,24-25,28-33,35-37,45-50H,11-12H2,(H5-,38,39,40,41,42,43,44)/p+1/t24?,25?,28-,29+,30+,31?,32?,33?,35-,36-/m1/s1 |
| InChIKey | ZTJRGVZWJAJAER-HETJYONBSA-O |
| 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) |
| Bisdemalonylsalviadelphin (CHEBI:168434) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| [(3R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Manual Xrefs | Databases |
|---|---|
| 24842345 | ChemSpider |
| LMPK12010298 | LIPID MAPS |