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CHEBI:28064 - cyanidin 3-O-rutinoside
| Formula | C27H31O15 |
| Net Charge | +1 |
| Average Mass | 595.530 |
| Monoisotopic Mass | 595.16575 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1 |
| InChIKey | USNPULRDBDVJAO-FXCAAIILSA-O |
| Wikipedia |
|---|
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyanidin 3-O-rutinoside (CHEBI:28064) has functional parent cyanidin cation (CHEBI:27843) |
| cyanidin 3-O-rutinoside (CHEBI:28064) is a anthocyanin cation (CHEBI:35218) |
| cyanidin 3-O-rutinoside (CHEBI:28064) is a benzenes (CHEBI:22712) |
| cyanidin 3-O-rutinoside (CHEBI:28064) is a disaccharide derivative (CHEBI:63353) |
| cyanidin 3-O-rutinoside (CHEBI:28064) is a rutinoside (CHEBI:26587) |
| cyanidin 3-O-rutinoside (CHEBI:28064) is conjugate acid of cyanidin 3-O-rutinoside betaine (CHEBI:58546) |
| Incoming Relation(s) |
| cyanidin 3-O-rutinoside chloride (CHEBI:16726) has part cyanidin 3-O-rutinoside (CHEBI:28064) |
| cyanidin 3-O-rutinoside betaine (CHEBI:58546) is conjugate base of cyanidin 3-O-rutinoside (CHEBI:28064) |
| IUPAC Name |
|---|
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| Cyanidin 3-O-rutinoside | KEGG COMPOUND |
| Cyanidin 3-rhamnoglucoside | ChEBI |
| Cyanidin 3-O-rhamnosylglucoside | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C08620 | KEGG COMPOUND |
| Antirrhinin | Wikipedia |
| C00002376 | KNApSAcK |
| 3975 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1838004 | Reaxys |