| Name |
Petunidin 3-O-(6-O-(4-O-(4-O-(6-O-caffeoyl-beta-D-glucopyranosyl)-E-p-coumaroyl)-alpha-rhamnosyl)-beta-D-glucopyranoside)-5-O-beta-D-glucopyranoside |
| Formula |
C58H65O31 |
| Mw |
1257.35098036 |
| CAS RN |
232617-25-3 |
| C_ID |
C00011099
, 
|
| InChIKey |
IPIBARRYAYFNQK-ROXSZJDJNA-O |
| InChICode |
InChI=1S/C58H64O31/c1-22-53(89-40(65)12-6-23-3-8-27(9-4-23)82-56-49(74)46(71)43(68)37(87-56)20-79-39(64)11-7-24-5-10-29(61)30(62)13-24)48(73)52(77)55(81-22)80-21-38-44(69)47(72)51(76)58(88-38)85-35-18-28-32(83-54(35)25-14-31(63)41(66)34(15-25)78-2)16-26(60)17-33(28)84-57-50(75)45(70)42(67)36(19-59)86-57/h3-18,22,36-38,42-53,55-59,67-77H,19-21H2,1-2H3,(H4-,60,61,62,63,64,66)/p+1/b12-6+/t22-,36-,37-,38-,42+,43+,44+,45+,46+,47-,48+,49-,50-,51+,52+,53+,55-,56-,57-,58-/m1/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)C(O)[C@H](O)C4O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3OC(C)[C@H](OC(=O)/C=C/c4ccc(O[C@@H]5OC(COC(=O)/C=C/c6ccc(O)c(O)c6)[C@@H](O)[C@H](O)C5O)cc4)C(O)[C@@H]3O)[C@@H](O)C(O)C2O)cc(O)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Petunia x hybrida | Ref. |
|
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