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@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O[C@H]1[C@H](O)C[C@]2([C@H]([C@]1(C)CO)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(=C)CC1)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum decumbens Ref.
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