| Name |
Isoorientin 2''-O-(E)-caffeate
2''-trans-Caffeoylisoorientin |
| Formula |
C30H26O14 |
| Mw |
610.13225554 |
| CAS RN |
57186-26-2 |
| C_ID |
C00006299
, 
|
| InChIKey |
LNXLYKZTPRBUPL-MMCKLNNGNA-N |
| InChICode |
InChI=1S/C30H26O14/c31-11-22-26(39)28(41)30(44-23(38)6-2-12-1-4-14(32)16(34)7-12)29(43-22)25-19(37)10-21-24(27(25)40)18(36)9-20(42-21)13-3-5-15(33)17(35)8-13/h1-10,22,26,28-35,37,39-41H,11H2/b6-2+/t22-,26-,28+,29+,30-/m1/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)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana burseri | Ref. |
|
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