input word = C00047727

Metabolite InformationStructural formula
Name Arisanschinin H
Formula C27H32O9
Mw 500.20463262
CAS RN 1181216-80-7
C_ID C00047727 ,
InChIKey FCTUIBJAFLZNCK-JYRVWZFONA-N
InChICode InChI=1S/C27H32O9/c1-8-13(2)26(29)36-25-16-11-18-23(35-12-34-18)24(33-7)20(16)19-15(9-14(3)27(25,4)30)10-17(31-5)22(32-6)21(19)28/h8,10-11,14,25,28,30H,9,12H2,1-7H3/b13-8-/t14-,25+,27+/m1/s1
SMILES c12c([C@@H]([C@@]([C@@H](Cc3c1c(c(c(c3)OC)OC)O)C)(C)O)OC(=O)/C(=C\C)/C)cc1c(c2OC)OCO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeSchisandra arisanensis Ref.
zoom in