input word = C00027008

Metabolite InformationStructural formula
Name cis-Centcyamine
Formula C20H20N2O3
Mw 336.14739252
CAS RN 365540-94-9
C_ID C00027008 ,
InChIKey DAYQHEUNAQSDHV-WTKPLQERSA-N
InChICode InChI=1S/C20H20N2O3/c1-25-17-7-8-19-18(12-17)15(13-22-19)10-11-21-20(24)9-4-14-2-5-16(23)6-3-14/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-4-
SMILES c1c(cc2c(c1)[nH]cc2CCNC(=O)/C=C\c1ccc(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea cyanus Ref.
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OrganismCentaurea cyanus
ReferenceSarker,Phytochem.,57,(2001),1273