input word = C00051330

Metabolite InformationStructural formula
Name Lotoideside B
Formula C47H80O17
Mw 916.53955113
CAS RN 851436-32-3
C_ID C00051330
InChIKey IYQJEPUFZYQJEU-AXPPCUHUNA-N
InChICode InChI=1S/C47H80O17/c1-20-30(52)34(56)37(63-39-35(57)31(53)24(51)19-59-39)41(60-20)62-28-13-15-45(7)27-11-10-26-44(6)14-12-21(43(4,5)64-40-36(58)33(55)32(54)25(18-48)61-40)29(44)22(49)16-46(26,8)47(27,9)17-23(50)38(45)42(28,2)3/h20-41,48-58H,10-19H2,1-9H3/t20-,21+,22-,23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,41-,44+,45+,46+,47+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6[C@@H](O)C[C@@]5(C)[C@]4(C)C[C@H](O)[C@H]3C2(C)C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMolluginaceaeGlinus lotoides Ref.
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