| Name |
Pelargonidin 3-O-(6-O-malonyl-beta-D-glucopyranoside)-7-O-(6-O-(4-O-(trans-caffeyl)-beta-D-glucopyranosyl)-trans-caffeyl)-beta-D-glucopyranoside) |
| Formula |
C54H55O29 |
| Mw |
1167.2829008 |
| CAS RN |
165070-66-6 |
| C_ID |
C00011185
, 
|
| InChIKey |
BSASCOCSWDJREE-QSMPBQELNA-O |
| InChICode |
InChI=1S/C54H54O29/c55-25-7-5-24(6-8-25)51-34(80-54-50(73)47(70)44(67)37(83-54)21-76-41(64)18-38(60)61)17-27-29(57)15-26(16-33(27)78-51)77-52-48(71)45(68)42(65)35(81-52)19-74-40(63)12-4-23-2-10-32(31(59)14-23)79-53-49(72)46(69)43(66)36(82-53)20-75-39(62)11-3-22-1-9-28(56)30(58)13-22/h1-17,35-37,42-50,52-54,65-73H,18-21H2,(H5-,55,56,57,58,59,60,61,62)/p+1/b12-4+/t35-,36+,37+,42+,43+,44+,45-,46-,47+,48+,49+,50+,52+,53+,54+/m0/s1 |
| SMILES |
c1cc(ccc1c1[o+]c2c(cc1O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)c(cc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1cc(c(cc1)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)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Senecio cruentus | Ref. |
|
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