| Name |
Deacetylnomilinate 17-glucoside |
| Formula |
C32H46O15 |
| Mw |
670.2836708 |
| CAS RN |
125107-16-6 |
| C_ID |
C00054395
|
| InChIKey |
KHVQVGJVQGOROB-VIWLNRHZSA-N |
| InChICode |
InChI=1S/C32H46O15/c1-28(2,43)17-10-19(35)31(5)16(30(17,4)18(34)11-20(36)37)6-8-29(3,32(31)25(47-32)26(41)42)24(14-7-9-44-13-14)46-27-23(40)22(39)21(38)15(12-33)45-27/h7,9,13,15-18,21-25,27,33-34,38-40,43H,6,8,10-12H2,1-5H3,(H,36,37)(H,41,42)/t15-,16-,17+,18-,21-,22+,23-,24+,25-,27+,29+,30-,31+,32-/m1/s1 |
| SMILES |
C[C@]([C@]1([H])CC2)(C(C[C@@H](C(C)(O)C)[C@]1(C)[C@H](O)CC(O)=O)=O)[C@]3(O[C@@H]3C(O)=O)[C@@]2([C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C5=COC=C5)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus paradisi  | Ref. |
|
|
zoom in
| Organism | Citrus paradisi |
|---|
| Reference | Dreyer, D.L.JOC, 1965, 30, 749 (Deacetylnomilin) |
|---|
|
