| Name |
Protoisoeruboside B |
| Formula |
C57H96O30 |
| Mw |
1260.59864173 |
| CAS RN |
186545-34-6 |
| C_ID |
C00057176
|
| InChIKey |
ZQQLHZYAZPKPGH-SJLAYLDNSA-N |
| InChICode |
InChI=1S/C57H96O30/c1-20(19-77-52-45(73)42(70)38(66)31(14-59)79-52)6-9-57(76)21(2)36-23-4-5-27-25(24(23)12-30(36)87-57)11-29(64)28-10-22(7-8-56(27,28)3)78-51-26(13-58)37(65)48(35(18-63)83-51)84-55-50(86-54-47(75)44(72)40(68)33(16-61)81-54)49(41(69)34(17-62)82-55)85-53-46(74)43(71)39(67)32(15-60)80-53/h20-55,58-76H,4-19H2,1-3H3/t20-,21-,22-,23?,24+,25-,26+,27-,28+,29+,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45+,46+,47+,48+,49-,50+,51+,52+,53-,54?,55-,56+,57?/m0/s1 |
| SMILES |
[H][C@]12[C@@]3(C[C@@H](O)[C@]4(C[C@@H](O[C@]5([H])O[C@H](CO)[C@@H](O[C@@]6([H])[C@H](OC7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@@]8([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@H]5CO)CC[C@@]4([C@]3(CCC1[C@]9([H])[C@](OC(CC[C@H](C)CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)(O)[C@H]9C)([H])C2)[H])C)[H])[H] |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium sativum  | Ref. |
|
|
zoom in
| Organism | Allium sativum |
|---|
| Reference | Matsuura, H. et al., Chem. Pharm. Bull., 1988, 36, 3659-3663
1989, 37, 1390-1391
2741-2743
3435 (Protoeruboside B, Sativoside, Chinenoside I) |
|---|
|
