| Name |
Delphinidin 3-O-[2-O-(2-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-beta-D-galactopyranoside]-7-O-[6-O-(trans-caffeoyl)-beta-D-glucopyranoside]-3'-O-[beta-D-glucuronopyranoside] |
| Formula |
C57H61O34 |
| Mw |
1289.3044241 |
| CAS RN |
462122-44-7 |
| C_ID |
C00014784
, 
|
| InChIKey |
DMJFLJSLHRVCBA-GVYBVMLFNA-O |
| InChICode |
InChI=1S/C57H60O34/c58-16-33-40(70)45(75)52(91-57-51(44(74)39(69)34(17-59)87-57)89-37(67)8-4-20-2-6-25(61)28(64)10-20)56(86-33)85-32-15-23-26(62)13-22(82-54-47(77)42(72)41(71)35(88-54)18-81-36(66)7-3-19-1-5-24(60)27(63)9-19)14-30(23)83-49(32)21-11-29(65)38(68)31(12-21)84-55-48(78)43(73)46(76)50(90-55)53(79)80/h1-15,33-35,39-48,50-52,54-59,69-78H,16-18H2,(H7-,60,61,62,63,64,65,66,67,68,79,80)/p+1/t33-,34+,35+,39+,40-,41+,42-,43-,44-,45-,46-,47-,48-,50+,51+,52-,54+,55+,56+,57-/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc(O)c3cc(O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4OC(=O)/C=C/c4ccc(O)c(O)c4)c(-c4cc(O)c(O)c(O[C@@H]5OC(C(=O)O)[C@@H](O)[C@H](O)C5O)c4)[o+]c3c2)C(O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Anemone coronaria | Ref. |
|
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