| 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 |
c1(oc2c(c(=O)c1)c(c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)c1cc(c(cc1)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Hordeum vulgare  | Ref. |
|
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