| Name |
Isoschaftoside 2'''-ferulate |
| Formula |
C36H36O17 |
| Mw |
740.19524973 |
| CAS RN |
80754-94-5 |
| C_ID |
C00006413
, 
|
| InChIKey |
MBGNCPLGMURTMM-AGPSRJRWNA-N |
| InChICode |
InChI=1S/C36H36O17/c1-49-21-10-14(2-8-17(21)39)3-9-23(42)53-36-32(48)28(44)22(12-37)52-35(36)26-30(46)25(34-31(47)27(43)19(41)13-50-34)29(45)24-18(40)11-20(51-33(24)26)15-4-6-16(38)7-5-15/h2-11,19,22,27-28,31-32,34-39,41,43-48H,12-13H2,1H3/b9-3+/t19-,22+,27+,28-,31+,32+,34+,35+,36-/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC2[C@@H](O)[C@H](O)C(CO)O[C@H]2c2c(O)c([C@@H]3OC[C@H](O)[C@H](O)C3O)c(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Metzgeriaceae | Apometzgeria pubescens | Ref. |
| Plantae | Metzgeriaceae | Metzgeria sp. | Ref. |
|
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