| 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 |
c1(c2c(cc(c1)O)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)OC(=O)/C=C/c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O)O)O)O)O)O)c1cc(c(c(c1)OC)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Petunia x hybrida | Ref. |
|
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