| Name |
Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside |
| Formula |
C28H26O18 |
| Mw |
650.11191403 |
| CAS RN |
89927-26-4 |
| C_ID |
C00057636
|
| InChIKey |
CGPYKAKUZOXDQH-VJACHWHUSA-N |
| InChICode |
InChI=1S/C30H24O15/c31-9-1-14(33)11-5-17(36)25(43-18(11)3-9)13-6-16(35)23(37)22-24(38)26(39)30(42)8-29(22,21(13)28(40)41)27-20(45-30)7-12-15(34)2-10(32)4-19(12)44-27/h1-4,6,17,20-21,25,27,31-34,36-37,42H,5,7-8H2,(H,40,41)/t17-,20-,21-,25-,27+,29+,30?/m1/s1 |
| SMILES |
O=C1C=C([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)[C@H](C(=O)O)[C@]23CC(O)(O[C@@H]4Cc5c(O)cc(O)cc5O[C@@H]42)C(=O)C(=O)C3=C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Sanguisorba officinalis  | Ref. |
|
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