| Name |
Cyanidin 3-(6'',6'''-di-p-coumarylsophoroside)-5-(6-malonylglucoside) |
| Formula |
C54H55O28 |
| Mw |
1151.28798618 |
| CAS RN |
176260-03-0 |
| C_ID |
C00006852
, 
|
| InChIKey |
PCZHGSBVVNVEOC-DRTAWHKVNA-O |
| InChICode |
InChI=1S/C54H54O28/c55-26-8-1-23(2-9-26)5-13-39(62)73-20-35-42(65)46(69)49(72)53(80-35)82-51-47(70)44(67)37(21-74-40(63)14-6-24-3-10-27(56)11-4-24)81-54(51)78-34-18-29-32(76-50(34)25-7-12-30(58)31(59)15-25)16-28(57)17-33(29)77-52-48(71)45(68)43(66)36(79-52)22-75-41(64)19-38(60)61/h1-18,35-37,42-49,51-54,65-72H,19-22H2,(H5-,55,56,57,58,59,60,61,62,63)/p+1/t35-,36+,37-,42+,43+,44+,45-,46-,47-,48+,49+,51+,52+,53-,54+/m0/s1 |
| SMILES |
O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)C(O)C4O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)C(O)[C@H]4O)cc23)C(O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ajuga reptans  | Ref. |
|
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