input word = C00039514

Metabolite InformationStructural formula
Name Kadangustin E
Formula C32H36O10
Mw 580.23084737
CAS RN 1013633-23-2
C_ID C00039514 ,
InChIKey ZGVQUOCWHUQALV-UHFFFAOYNA-N
InChICode InChI=1S/C32H36O10/c1-16-17(2)28(42-32(35)19-12-10-9-11-13-19)20-14-22(36-4)29(38-6)26(34)24(20)25-21(27(16)41-18(3)33)15-23(37-5)30(39-7)31(25)40-8/h9-17,27-28,34H,1-8H3/t16-,17-,27+,28-/m1/s1
SMILES c12c([C@@H]([C@@H]([C@H]([C@@H](c3c1c(c(c(c3)OC)OC)OC)OC(=O)C)C)C)OC(=O)c1ccccc1)cc(c(c2O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura angustifolia Ref.
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