| Name |
Penta-O-galloyl-beta-D-glucose
Pentagalloylglucose |
| Formula |
C41H32O16 |
| Mw |
780.16903498 |
| CAS RN |
50678-27-8 |
| C_ID |
C00037615
, 
|
| InChIKey |
QJYNZEYHSMRWBK-XBVSCCNGNA-N |
| InChICode |
InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1 |
| SMILES |
[C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC(=O)c1cc(c(c(c1)O)O)O)COC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Chenopodiaceae | Cornulaca monacantha  | Ref. |
| Plantae | Nymphaeaceae | Nymphaea lotus | Ref. |
|
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