| Name |
Isoorientin 4',2''-di-O-glucoside |
| Formula |
C33H40O21 |
| Mw |
772.20620834 |
| CAS RN |
63316-26-7 |
| C_ID |
C00006313
, 
|
| InChIKey |
RQSYXJLWNNTQIE-IFKMJLCMNA-N |
| InChICode |
InChI=1S/C33H40O21/c34-6-16-23(42)27(46)31(54-33-29(48)26(45)22(41)18(8-36)53-33)30(50-16)20-12(39)5-15-19(24(20)43)11(38)4-14(49-15)9-1-2-13(10(37)3-9)51-32-28(47)25(44)21(40)17(7-35)52-32/h1-5,16-18,21-23,25-37,39-48H,6-8H2/t16-,17-,18-,21-,22-,23-,25+,26+,27+,28-,29-,30+,31-,32-,33+/m1/s1 |
| SMILES |
c1(c(c(c2c(c1)oc(cc2=O)c1cc(c(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana asclepiadea  | Ref. |
|
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