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CHEBI:168917 - Delphinidin 3-(3''-p-coumaroylglucoside)
| Formula | C30H27O14 |
| Net Charge | +1 |
| Average Mass | 611.532 |
| Monoisotopic Mass | 611.13953 |
| SMILES | O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O)[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)O[C@H](CO)[C@H]1O |
| InChI | InChI=1S/C30H26O14/c31-12-23-26(39)29(44-24(37)6-3-13-1-4-15(32)5-2-13)27(40)30(43-23)42-22-11-17-18(34)9-16(33)10-21(17)41-28(22)14-7-19(35)25(38)20(36)8-14/h1-11,23,26-27,29-31,39-40H,12H2,(H5-,32,33,34,35,36,37,38)/p+1/t23-,26-,27-,29+,30-/m1/s1 |
| InChIKey | NZVJDUGETACNKD-XMIMKILASA-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) |
| Delphinidin 3-(3''-p-coumaroylglucoside) (CHEBI:168917) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| [(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Manual Xrefs | Databases |
|---|---|
| 30776811 | ChemSpider |
| HMDB0030099 | HMDB |