| Name |
Delphinidin 3-O-[6-O-(4-O-(4-O-(6-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside] |
| Formula |
C57H63O31 |
| Mw |
1243.3353303 |
| CAS RN |
307548-61-4 |
| C_ID |
C00014795
, 
|
| InChIKey |
IWJHPEHMLMMSNP-WNGWJRNYNA-O |
| InChICode |
InChI=1S/C57H62O31/c1-21-52(88-39(65)11-5-22-2-7-26(8-3-22)81-55-48(74)45(71)42(68)36(86-55)19-78-38(64)10-6-23-4-9-28(60)29(61)12-23)47(73)51(77)54(80-21)79-20-37-43(69)46(72)50(76)57(87-37)84-34-17-27-32(82-53(34)24-13-30(62)40(66)31(63)14-24)15-25(59)16-33(27)83-56-49(75)44(70)41(67)35(18-58)85-56/h2-17,21,35-37,41-52,54-58,67-77H,18-20H2,1H3,(H5-,59,60,61,62,63,64,66)/p+1/b11-5+/t21-,35-,36+,37+,41+,42+,43+,44-,45-,46-,47+,48+,49+,50+,51-,52-,54+,55+,56+,57+/m0/s1 |
| SMILES |
CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)C(O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1OC(=O)/C=C/c1ccc(O[C@@H]2OC(COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)C2O)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Petunia reitzii | Ref. |
|
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