| Name |
Prunasin 2',3',6'-tri-O-gallate
(+)-Prunasin 2',3',6'-tri-O-gallate |
| Formula |
C35H29NO18 |
| Mw |
751.13846313 |
| CAS RN |
404835-31-0 |
| C_ID |
C00045028
, 
|
| InChIKey |
NHZNFYPYZDKAIP-CNPJKDEPNA-N |
| InChICode |
InChI=1S/C35H29NO18/c1-36-31(14-5-3-2-4-6-14)54-35-30(53-34(49)17-11-22(41)27(45)23(42)12-17)29(52-33(48)16-9-20(39)26(44)21(40)10-16)28(46)24(51-35)13-50-32(47)15-7-18(37)25(43)19(38)8-15/h2-12,24,28-31,35,37-46H,13H2/t24-,28-,29+,30-,31-,35+/m1/s1 |
| SMILES |
[C-]#[N+][C@H](O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1ccccc1 |
| 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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