| Name |
Prunasin 2',3',4',6'-tetra-O-gallate
(+)-Prunasin 2',3',4',6'-tetra-O-gallate |
| Formula |
C42H33NO22 |
| Mw |
903.14942175 |
| CAS RN |
404835-33-2 |
| C_ID |
C00045027
, 
|
| InChIKey |
KSEDHRVLAZVJHD-KJMVLXKNNA-N |
| InChICode |
InChI=1S/C42H33NO22/c43-14-29(16-4-2-1-3-5-16)61-42-37(65-41(59)20-12-27(50)34(55)28(51)13-20)36(64-40(58)19-10-25(48)33(54)26(49)11-19)35(63-39(57)18-8-23(46)32(53)24(47)9-18)30(62-42)15-60-38(56)17-6-21(44)31(52)22(45)7-17/h1-13,29-30,35-37,42,44-55H,15H2/t29-,30+,35+,36-,37+,42+/m0/s1 |
| SMILES |
c1(c(c(cc(c1)C(=O)O[C@H]1[C@H](OC(=O)c2cc(c(c(c2)O)O)O)[C@H](O[C@H]([C@@H]1OC(=O)c1cc(c(c(c1)O)O)O)O[C@H](c1ccccc1)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Arg L-Asp L-Phe |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Phyllagathis rotundifolia | Ref. |
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