| Name |
Mollisoside B1 |
| Formula |
C53H82O25S |
| Mw |
1150.4865889 |
| CAS RN |
857288-91-6 |
| C_ID |
C00042745
, 
|
| InChIKey |
WGJNFIHCLRWJKD-XHXSBLOBNA-N |
| InChICode |
InChI=1S/C53H82O25S/c1-23(2)9-12-32(57)52(7)31-14-17-51(6)25-10-11-30-49(3,4)33(15-16-50(30,5)24(25)13-18-53(31,51)48(64)77-52)73-47-43(35(59)29(22-70-47)78-79(65,66)67)76-45-37(61)36(60)41(28(20-55)72-45)75-44-38(62)40(26(56)21-69-44)74-46-39(63)42(68-8)34(58)27(19-54)71-46/h10,24,26-31,33-47,54-56,58-63H,1,9,11-22H2,2-8H3,(H,65,66,67)/t24-,26+,27+,28+,29+,30-,31+,33-,34+,35-,36+,37+,38+,39+,40-,41-,42-,43+,44-,45-,46-,47-,50+,51-,52+,53+/m0/s1 |
| SMILES |
C=C(C)CCC(=O)[C@]1(C)OC(=O)[C@]23CC[C@H]4C(=CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]2(C)CC[C@H]13 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Holothuriidae | Australostichopus mollis | Ref. |
|
|
zoom in
| Organism | Australostichopus mollis |
|---|
| Reference | Moraes,J.Nat.Prod.,68,(2005),842 |
|---|
|
