input word = C00051329

Metabolite InformationStructural formula
Name Lotoideside A
Formula C52H88O21
Mw 1048.58180988
CAS RN 851436-30-1
C_ID C00051329
InChIKey KGFVFIYPLBMVTO-HUVJVPDWNA-N
InChICode InChI=1S/C52H88O21/c1-21-32(57)37(62)41(72-44-39(64)34(59)25(56)20-67-44)46(68-21)71-30-13-15-50(7)29-11-10-28-49(6)14-12-22(48(4,5)73-45-40(65)36(61)35(60)27(18-53)70-45)31(49)23(54)16-51(28,8)52(29,9)17-26(42(50)47(30,2)3)69-43-38(63)33(58)24(55)19-66-43/h21-46,53-65H,10-20H2,1-9H3/t21-,22+,23-,24+,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,49+,50+,51+,52+/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]4OC[C@@H](O)[C@H](O)[C@H]4O)[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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