| Name |
Epiisoobacunoic acid 17-O-beta-D-glucoside |
| Formula |
C32H44O14 |
| Mw |
652.27310612 |
| CAS RN |
125276-03-1 |
| C_ID |
C00056733
|
| InChIKey |
GFDDIOAHWBGUTE-DBDGOMGQSA-N |
| InChICode |
InChI=1S/C32H44O14/c1-28(2)17-10-18(34)31(5)16(30(17,4)19(45-28)11-20(35)36)6-8-29(3,32(31)25(46-32)26(40)41)24(14-7-9-42-13-14)44-27-23(39)22(38)21(37)15(12-33)43-27/h7,9,13,15-17,19,21-25,27,33,37-39H,6,8,10-12H2,1-5H3,(H,35,36)(H,40,41)/t15-,16-,17+,19-,21-,22+,23-,24+,25-,27+,29+,30-,31+,32-/m1/s1 |
| SMILES |
O=C1[C@@]2(C)[C@]3(O[C@@H]3C(O)=O)[C@@]([C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C5=COC=C5)(C)CC[C@]2([H])[C@]6(C)[C@@](C(C)(C)O[C@@H]6CC(O)=O)([H])C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus paradisii | Ref. |
|
|
zoom in
| Organism | Citrus paradisii |
|---|
| Reference | Barton, D.H.R. et al., JCS, 1961, 255-275 (synth) |
|---|
|
