input word = C00053916

Metabolite InformationStructural formula
Name zygophyloside F
Formula C42H66O17S
Mw 874.40207141
CAS RN 171980-77-1
C_ID C00053916
InChIKey GBBMRSNNCAWOOS-KZNIDIGNSA-N
InChICode InChI=1S/C42H66O17S/c1-19-10-15-41(36(49)50)16-17-42(37(51)58-34-32(48)30(46)29(45)23(18-43)56-34)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)57-35-33(59-60(52,53)54)31(47)28(44)21(3)55-35/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,52,53,54)/t19-,20+,21-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1
SMILES [H][C@]12[C@@]([C@](C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=O)(CC[C@]4(C(O)=O)[C@@]5([H])[C@@H](C)[C@H](C)CC4)C5=CC2)(C)CC[C@@]6([H])C(C)(C)[C@@H](O[C@H]7[C@H](OS(=O)(O)=O)[C@@H](O)[C@H](O)[C@@H](C)O7)CC[C@@]61C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum album Ref.
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