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CHEBI:32115 - salvianin
| Formula | C42H41O24 |
| Net Charge | +1 |
| Average Mass | 929.766 |
| Monoisotopic Mass | 929.19823 |
| SMILES | O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1OC(=O)CC(=O)O |
| InChI | InChI=1S/C42H40O24/c43-19-5-3-18(4-6-19)39-26(63-41-37(57)35(55)34(54)27(64-41)15-59-31(51)8-2-17-1-7-22(45)23(46)9-17)12-21-24(61-39)10-20(44)11-25(21)62-42-38(58)36(56)40(66-33(53)14-30(49)50)28(65-42)16-60-32(52)13-29(47)48/h1-12,27-28,34-38,40-42,54-58H,13-16H2,(H5-,43,44,45,46,47,48,49,50,51)/p+1/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1 |
| InChIKey | PJBHNEIXNNZROX-QBMVVDGVSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| salvianin (CHEBI:32115) has functional parent pelargonidin (CHEBI:25863) |
| salvianin (CHEBI:32115) is a anthocyanin cation (CHEBI:35218) |
| salvianin (CHEBI:32115) is conjugate acid of salvianin(2−) (CHEBI:71606) |
| Incoming Relation(s) |
| salvianin(2−) (CHEBI:71606) is conjugate base of salvianin (CHEBI:32115) |
| IUPAC Name |
|---|
| 3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-yl 3,6-bis-O-(carboxyacetyl)-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| pelargonidin 3-O-(6-O-caffeoyl-β-D-glucoside) 5-O-(4-O,6-O-dimalonyl-β-D-glucoside) | ChEBI |
| Salvianin | KEGG COMPOUND |