| Name |
Pelargonidin 3-(6''-p-coumaryl-2'''-sinapyl-sambubioside)-5-(6-malonylglucoside) |
| Formula |
C55H57O28 |
| Mw |
1165.30363624 |
| CAS RN |
175737-99-2 |
| C_ID |
C00006784
, 
|
| InChIKey |
QUOBCHCSNDAZER-JICMPABDNA-O |
| InChICode |
InChI=1S/C55H56O28/c1-72-34-15-25(16-35(73-2)44(34)66)6-14-41(63)82-51-43(65)31(59)21-76-54(51)83-52-48(70)46(68)38(22-74-40(62)13-5-24-3-9-27(56)10-4-24)81-55(52)79-36-19-30-32(77-50(36)26-7-11-28(57)12-8-26)17-29(58)18-33(30)78-53-49(71)47(69)45(67)37(80-53)23-75-42(64)20-39(60)61/h3-19,31,37-38,43,45-49,51-55,59,65,67-71H,20-23H2,1-2H3,(H4-,56,57,58,60,61,62,63,66)/p+1/t31-,37-,38-,43-,45+,46+,47-,48+,49+,51-,52+,53+,54-,55+/m0/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC2[C@H](O[C@@H]3C(O)[C@H](O)C(COC(=O)/C=C/c4ccc(O)cc4)O[C@H]3Oc3cc4c(O[C@@H]5OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)OC[C@@H](O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Matthiola incana  | Ref. |
|
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