input word = C00032248

Metabolite InformationStructural formula
Name Subproside II
Formula C47H76O19
Mw 944.49808025
CAS RN 142750-16-1
C_ID C00032248 ,
InChIKey CZWWSNBIQYSMKU-JMPLJQSCNA-N
InChICode InChI=1S/C47H76O19/c1-20-27(51)29(53)32(56)39(62-20)65-34-28(52)23(50)17-61-40(34)66-35-31(55)30(54)33(38(59)60)64-41(35)63-26-11-12-44(4)24(45(26,5)19-49)10-13-47(7)25(44)9-8-21-22-16-42(2,18-48)36(57)37(58)43(22,3)14-15-46(21,47)6/h8,20,22-37,39-41,48-58H,9-19H2,1-7H3,(H,59,60)/t20-,22-,23-,24+,25+,26-,27-,28-,29+,30-,31-,32+,33-,34+,35+,36-,37+,39-,40-,41+,42+,43+,44-,45+,46+,47+/m0/s1
SMILES [C@]1([C@H]([C@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@]1(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)C(=O)O)C)C)C)O)O)(C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora koreensis Ref.
zoom in