| Name |
Petunidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]- 5-O-[beta-D-glucopyranoside] |
| Formula |
C49H59O28 |
| Mw |
1095.31928631 |
| CAS RN |
232617-18-4 |
| C_ID |
C00014861
, 
|
| InChIKey |
KMAJOOLDJBGTOF-KWXGDNPMNA-O |
| InChICode |
InChI=1S/C49H58O28/c1-17-44(77-31(54)8-5-18-3-6-21(7-4-18)70-47-40(63)36(59)33(56)28(14-50)74-47)39(62)43(66)46(69-17)68-16-30-35(58)38(61)42(65)49(76-30)73-27-13-22-24(71-45(27)19-9-23(53)32(55)26(10-19)67-2)11-20(52)12-25(22)72-48-41(64)37(60)34(57)29(15-51)75-48/h3-13,17,28-30,33-44,46-51,56-66H,14-16H2,1-2H3,(H2-,52,53,55)/p+1/b8-5+/t17-,28+,29+,30+,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,46+,47+,48+,49+/m0/s1 |
| SMILES |
c1(cc(c2c(c1)[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)CO)O)O)O)O)O)O)O)O)c1cc(c(c(c1)O)O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Petunia occidentalis | Ref. |
|
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