input word = C00027006

Metabolite InformationStructural formula
Name Centcyamine
Formula C20H20N2O3
Mw 336.14739252
CAS RN 366452-03-1
C_ID C00027006 ,
InChIKey DAYQHEUNAQSDHV-RUDMXATFSA-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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