input word = C00053917

Metabolite InformationStructural formula
Name zygophyloside G
Formula C42H66O18S
Mw 890.39698604
CAS RN 188554-59-8
C_ID C00053917
InChIKey MLWNJYSDBGCGAS-DTJUAWDLSA-N
InChICode InChI=1S/C42H66O18S/c1-19-9-14-41(37(52)59-34-32(49)30(47)28(45)22(17-43)56-34)15-16-42(36(50)51)21(27(41)20(19)2)7-8-25-39(5)12-11-26(38(3,4)24(39)10-13-40(25,42)6)58-35-33(60-61(53,54)55)31(48)29(46)23(18-44)57-35/h7,19-20,22-35,43-49H,8-18H2,1-6H3,(H,50,51)(H,53,54,55)/t19-,20+,22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6OS(=O)(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum album Ref.
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