| Name |
Delphinidin 3-O-[2-O-(2-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-6-O-(malonyl)-beta-D-galactopyranoside]-7-O-[6-O-(trans-caffeoyl)-beta-D-glucopyranoside]-3'-O-[beta-D-glucuronopyranoside] |
| Formula |
C60H63O37 |
| Mw |
1375.30481803 |
| CAS RN |
462122-45-8 |
| C_ID |
C00014785
, 
|
| InChIKey |
RXADHNKAOTUHDK-YWKKLQDGNA-O |
| InChICode |
InChI=1S/C60H62O37/c61-17-34-42(74)47(79)54(95-39(71)8-4-21-2-6-26(63)29(66)10-21)60(92-34)97-55-48(80)44(76)36(19-87-40(72)16-37(68)69)94-59(55)91-33-15-24-27(64)13-23(88-57-50(82)45(77)43(75)35(93-57)18-86-38(70)7-3-20-1-5-25(62)28(65)9-20)14-31(24)89-52(33)22-11-30(67)41(73)32(12-22)90-58-51(83)46(78)49(81)53(96-58)56(84)85/h1-15,34-36,42-51,53-55,57-61,74-83H,16-19H2,(H8-,62,63,64,65,66,67,68,69,70,71,73,84,85)/p+1/t34-,35-,36+,42+,43+,44-,45-,46-,47-,48-,49-,50+,51+,53-,54+,55+,57+,58+,59+,60-/m0/s1 |
| SMILES |
O=C(O)CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)C4O)cc3[o+]c2-c2cc(O)c(O)c(O[C@@H]3OC(C(=O)O)[C@@H](O)[C@H](O)C3O)c2)C(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Anemone coronaria | Ref. |
|
|
zoom in
|
