| Name |
Isoorientin 4'-O-glucoside 2''-O-(E)-ferulate |
| Formula |
C37H38O19 |
| Mw |
786.20072904 |
| CAS RN |
60077-50-1 |
| C_ID |
C00006331
, 
|
| InChIKey |
ANBZFYYSBLEBRA-HEVMXZKINA-N |
| InChICode |
InChI=1S/C37H38O19/c1-51-22-8-14(2-5-16(22)40)3-7-26(44)56-36-33(49)30(46)24(12-38)53-35(36)28-19(43)11-23-27(31(28)47)18(42)10-21(52-23)15-4-6-20(17(41)9-15)54-37-34(50)32(48)29(45)25(13-39)55-37/h2-11,24-25,29-30,32-41,43,45-50H,12-13H2,1H3/b7-3+/t24-,25-,29+,30+,32-,33-,34+,35-,36+,37+/m0/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)OC(=O)/C=C/c1cc(c(cc1)O)OC)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Cerastium arvense | Ref. |
| Plantae | Gentianaceae | Gentiana burseri | Ref. |
|
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