| Name |
Isoorientin 7-O-(6'''-O-(E)-feruloyl)glucoside |
| Formula |
C37H38O19 |
| Mw |
786.20072904 |
| CAS RN |
496788-50-2 |
| C_ID |
C00014097
, 
|
| InChIKey |
CRZJAZVDNXUPOH-TZQURHDBNA-N |
| InChICode |
InChI=1S/C37H38O19/c1-51-21-8-14(2-5-17(21)40)3-7-26(43)52-13-25-30(45)33(48)35(50)37(56-25)55-23-11-22-27(19(42)10-20(53-22)15-4-6-16(39)18(41)9-15)31(46)28(23)36-34(49)32(47)29(44)24(12-38)54-36/h2-11,24-25,29-30,32-41,44-50H,12-13H2,1H3/b7-3+/t24-,25-,29-,30-,32+,33+,34-,35-,36+,37-/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c(O)c3[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C(O)[C@@H](O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Hordeum vulgare  | Ref. |
|
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