| Name |
Mollisoside B2 |
| Formula |
C53H82O25S |
| Mw |
1150.4865889 |
| CAS RN |
857288-92-7 |
| C_ID |
C00042746
, 
|
| InChIKey |
SVOCAEOMEBDWCM-UOAZKOEANA-N |
| InChICode |
InChI=1S/C53H82O25S/c1-23(2)10-9-15-52(7)43-26(56)18-51(6)25-11-12-31-49(3,4)32(14-16-50(31,5)24(25)13-17-53(43,51)48(64)77-52)73-47-42(34(59)30(22-70-47)78-79(65,66)67)76-45-36(61)35(60)40(29(20-55)72-45)75-44-37(62)39(27(57)21-69-44)74-46-38(63)41(68-8)33(58)28(19-54)71-46/h11,24,27-47,54-55,57-63H,1,9-10,12-22H2,2-8H3,(H,65,66,67)/t24-,27+,28+,29+,30+,31-,32-,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[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(=O)[C@@H]31 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Holothuriidae | Australostichopus mollis | Ref. |
|
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