input word = C00031445

Metabolite InformationStructural formula
Name (-)-Chicanine
Formula C20H22O5
Mw 342.14672381
CAS RN 627875-49-4
C_ID C00031445 ,
InChIKey JPDORDSJPIKURD-FOCKEVNCNA-N
InChICode InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12+,19-,20+/m0/s1
SMILES [C@H]1([C@H](O[C@H]([C@@H]1C)c1ccc2c(c1)OCO2)c1ccc(c(c1)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeucas aspera Ref.
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OrganismLeucas aspera
ReferenceSadhu,Chem.Pharm.Bull.,51,(2003),595