input word = C00032556

Metabolite InformationStructural formula
Name Zygophyloside P
(+)-Zygophyloside P
Formula C41H61O17S
Mw 857.36294625
CAS RN 1064121-34-1
C_ID C00032556 ,
InChIKey XWXIOLSFMICCLT-IJWLYZJFNA-N
InChICode InChI=1S/C41H64O17S/c1-19-9-14-40(36(50)57-33-31(47)30(46)29(45)23(17-42)55-33)15-16-41(35(48)49)21(27(40)20(19)2)7-8-25-38(5)12-11-26(37(3,4)24(38)10-13-39(25,41)6)56-34-32(58-59(51,52)53)28(44)22(43)18-54-34/h7,19-20,22-34,42-47H,8-18H2,1-6H3,(H,48,49)(H,51,52,53)/t19-,20+,22-,23-,24+,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,38+,39-,40+,41-/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]6OC[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 fabago L. Ref.
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