| Name |
Pelargonidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-glucoside |
| Formula |
C53H57O26 |
| Mw |
1109.313807 |
| CAS RN |
175738-02-0 |
| C_ID |
C00006783
, 
|
| InChIKey |
OWGCIVGOYHGPEY-PJDSYNSINA-O |
| InChICode |
InChI=1S/C53H56O26/c1-68-33-14-23(4-11-29(33)57)5-12-39(59)71-22-38-44(64)46(66)50(79-52-49(41(61)30(58)21-72-52)78-40(60)13-6-24-15-34(69-2)42(62)35(16-24)70-3)53(77-38)75-36-19-28-31(73-48(36)25-7-9-26(55)10-8-25)17-27(56)18-32(28)74-51-47(67)45(65)43(63)37(20-54)76-51/h4-19,30,37-38,41,43-47,49-54,58,61,63-67H,20-22H2,1-3H3,(H3-,55,56,57,59,60,62)/p+1/t30-,37-,38-,41+,43+,44+,45-,46-,47+,49+,50+,51+,52+,53+/m0/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)C3OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)C(O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Matthiola incana  | Ref. |
|
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