| Name |
Isoorientin 6''-O-caffeate |
| Formula |
C30H26O14 |
| Mw |
610.13225554 |
| CAS RN |
172377-88-7 |
| C_ID |
C00014100
, 
|
| InChIKey |
AINXWDZMEIYUSK-QJERWKKNNA-N |
| InChICode |
InChI=1S/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+/t22-,26-,28+,29+,30+/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)O)O)O)O)O)c1cc(c(cc1)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana arisanensis | Ref. |
|
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