input word = C00026237

Metabolite InformationStructural formula
Name Candidine
Qingdainone
Qingdainone
Formula C23H13N3O2
Mw 363.10077668
CAS RN 97457-31-3
C_ID C00026237 ,
InChIKey DXENDDMPDZMHSQ-FMQUCBEESA-N
InChICode InChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19+
SMILES c1ccc2c(c1)nc1n(c2=O)c2c(/c/1=C/1\Nc3c(C1=O)cccc3)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala IPP
Organism
Kingdom Family Species Reference
FungiSaccharomycetaceaeCandida lipolitica Ref.
PlantaeCruciferaeIsatis indigotica Ref.
PlantaePolygonaceaePolygonum tinctorium Ref.
--Baphicacanthus cusia Ref.
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OrganismPolygonum tinctorium
ReferenceZou, et al., APS, 20, (1985), 45.

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)