input word = C00027206

Metabolite InformationStructural formula
Name Crispine C
Carcrisine B
Formula C15H20N4O2
Mw 288.15862591
CAS RN 474304-18-2
C_ID C00027206 ,
InChIKey VRUYEFQLMTVERU-UHFFFAOYSA-N
InChICode InChI=1S/C15H20N4O2/c1-20-13-8-10-5-7-18-12(4-3-6-19-15(16)17)11(10)9-14(13)21-2/h5,7-9H,3-4,6H2,1-2H3,(H4,16,17,19)
SMILES c1c2c(cc(c1OC)OC)c(ncc2)CCCNC(=N)N
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarduus crispus Ref.
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OrganismCarduus crispus
ReferenceZhang,Tetrahedron,58,(2002),6795