input word = C00058006

Metabolite InformationStructural formula
Name ortho-Topolin
Formula C12H11N5O
Mw 241.09636001
CAS RN 20366-83-0
C_ID C00058006
InChIKey AKOVXPNRITVXAR-UHFFFAOYSA-N
InChICode InChI=1S/C12H11N5O/c18-9-4-2-1-3-8(9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)
SMILES Oc1ccccc1CNc1nc[nH]c2ncnc1-2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePalmaeCocos nucifera Ref.
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OrganismCocos nucifera
ReferenceAldrich Library of NMR Spectra, 2nd edn.,1983, 2, 589C

589D

2, 590C (pmr)