| Name |
Isopyrenin 7-O-glucoside |
| Formula |
C29H34O17 |
| Mw |
654.17959966 |
| CAS RN |
61252-86-6 |
| C_ID |
C00006297
, 
|
| InChIKey |
SWENSQIVQCHHFS-NUZPLLKSNA-N |
| InChICode |
InChI=1S/C29H34O17/c1-41-14-3-9(4-15(42-2)20(14)33)11-5-10(32)18-12(43-11)6-13(45-29-27(40)25(38)22(35)17(8-31)46-29)19(23(18)36)28-26(39)24(37)21(34)16(7-30)44-28/h3-6,16-17,21-22,24-31,33-40H,7-8H2,1-2H3/t16-,17+,21-,22-,24+,25+,26-,27-,28+,29-/m1/s1 |
| SMILES |
c1(c(c(c2c(c1)oc(cc2=O)c1cc(c(c(c1)OC)O)OC)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana pyrenaica | Ref. |
|
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