| Name |
Delphinidin 3-O-[2-O-(2-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-6-O-(2-O-(tartaryl)malonyl)-beta-D-galactopyranoside]-7-O-[6-O-(trans-caffeoyl)-beta-D-glucopyranoside] |
| Formula |
C58H59O36 |
| Mw |
1331.27860328 |
| CAS RN |
462122-47-0 |
| C_ID |
C00014783
, 
|
| InChIKey |
QSILDJSBWRMWKU-XDJMVBIANA-O |
| InChICode |
InChI=1S/C58H58O36/c59-17-34-42(72)46(76)52(92-38(68)8-4-21-2-6-26(61)29(64)10-21)58(89-34)94-53-47(77)44(74)36(19-85-39(69)16-40(70)93-51(55(82)83)49(79)54(80)81)91-57(53)88-33-15-24-27(62)13-23(14-32(24)87-50(33)22-11-30(65)41(71)31(66)12-22)86-56-48(78)45(75)43(73)35(90-56)18-84-37(67)7-3-20-1-5-25(60)28(63)9-20/h1-15,34-36,42-49,51-53,56-59,72-79H,16-19H2,(H9-,60,61,62,63,64,65,66,67,68,71,80,81,82,83)/p+1/t34-,35+,36-,42-,43-,44+,45+,46+,47+,48+,49+,51-,52-,53-,56-,57-,58+/m1/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CC(=O)O[C@@H](C(=O)O)[C@H](O)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)c1cc(c(c(c1)O)O)O)O)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 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Anemone coronaria | Ref. |
|
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