input word = C00044390

Metabolite InformationStructural formula
Name Zygophyloside J
Formula C41H62O16
Mw 810.40378593
CAS RN 212068-01-4
C_ID C00044390 ,
InChIKey STGCLHXEGRGLMA-GUJKUUFMNA-N
InChICode InChI=1S/C41H62O16/c1-18-8-11-41(36(53)57-34-29(49)26(46)25(45)22(16-42)54-34)13-12-39(4)19(20(41)14-18)6-7-24-37(2)15-21(44)32(38(3,17-43)23(37)9-10-40(24,39)5)56-35-30(50)27(47)28(48)31(55-35)33(51)52/h6,20-32,34-35,42-50H,1,7-17H2,2-5H3,(H,51,52)/t20-,21+,22+,23+,24+,25-,26-,27-,28-,29+,30+,31-,32-,34-,35-,37-,38-,39+,40+,41-/m0/s1
SMILES C=C1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum decumbens Ref.
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