| Name |
Isoorientin 2''-O-(E)-ferulate
trans-Feruloyl-2''-isoorientin |
| Formula |
C31H28O14 |
| Mw |
624.14790561 |
| CAS RN |
60077-49-8 |
| C_ID |
C00006302
, 
|
| InChIKey |
RCTFTHQFTNXXON-KACMRLOCNA-N |
| InChICode |
InChI=1S/C31H28O14/c1-42-21-8-13(2-5-16(21)34)3-7-24(38)45-31-29(41)27(39)23(12-32)44-30(31)26-19(37)11-22-25(28(26)40)18(36)10-20(43-22)14-4-6-15(33)17(35)9-14/h2-11,23,27,29-35,37,39-41H,12H2,1H3/b7-3+/t23-,27+,29-,30-,31+/m0/s1 |
| SMILES |
c1(c(c(c2c(c1)oc(cc2=O)c1ccc(c(c1)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 | Gentianaceae | Gentiana burseri | Ref. |
| Plantae | Gentianaceae | Gentiana punctata  | Ref. |
|
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