| Name |
Pelargonidin 3-O-[2-O-(2-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside)
Pelargonidin 3-(2-(2-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside |
| Formula |
C53H57O26 |
| Mw |
1109.313807 |
| CAS RN |
448963-09-5 |
| C_ID |
C00014841
, 
|
| InChIKey |
LZPCMSSPGICVAG-DVUCURNPNA-O |
| InChICode |
InChI=1S/C53H56O26/c1-69-33-15-23(3-11-29(33)58)5-13-39(60)71-22-38-43(64)46(67)50(79-53-49(45(66)42(63)37(21-55)76-53)78-40(61)14-6-24-4-12-30(59)34(16-24)70-2)52(77-38)74-35-19-28-31(72-48(35)25-7-9-26(56)10-8-25)17-27(57)18-32(28)73-51-47(68)44(65)41(62)36(20-54)75-51/h3-19,36-38,41-47,49-55,62-68H,20-22H2,1-2H3,(H3-,56,57,58,59,60,61)/p+1/t36-,37-,38-,41-,42-,43-,44+,45+,46+,47-,49-,50-,51-,52-,53+/m1/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(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H](O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Raphanus sativus  | Ref. |
|
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