| Name |
Isoorientin 4'-O-glucoside-2''-(4-glucosyloxy-2,5-dihydroxycinnamante) |
| Formula |
C42H46O25 |
| Mw |
950.23281702 |
| CAS RN |
80749-68-4 |
| C_ID |
C00006341
, 
|
| InChIKey |
HGFRUSQRTBSHDZ-PNKXLJNUNA-N |
| InChICode |
InChI=1S/C42H46O25/c43-10-24-32(54)36(58)40(67-27(51)4-2-13-5-17(48)22(7-15(13)46)64-42-38(60)35(57)31(53)26(12-45)66-42)39(62-24)29-19(50)9-23-28(33(29)55)18(49)8-21(61-23)14-1-3-20(16(47)6-14)63-41-37(59)34(56)30(52)25(11-44)65-41/h1-9,24-26,30-32,34-48,50,52-60H,10-12H2/b4-2+/t24-,25-,26+,30+,31+,32+,34-,35+,36-,37-,38+,39-,40+,41+,42+/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(cc1O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana punctata  | Ref. |
|
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