| 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 |
C1[C@H]2C(=CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O[C@@H]2OC[C@H]([C@@H]([C@H]2O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)OC)O)CO)O)O)O)O)OS(=O)(=O)O)C)[C@]2([C@]3(C1)[C@H](CC2)[C@@](OC3=O)(C(=O)CCC(=C)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Holothuriidae | Australostichopus mollis | Ref. |
|
|
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