input word = C00046040

Metabolite InformationStructural formula
Name Isaindigotone
Formula C20H18N2O4
Mw 350.12665708
CAS RN 189316-00-5
C_ID C00046040 ,
InChIKey UBCUTNIGHUVICE-UKTHLTGXSA-N
InChICode InChI=1S/C20H18N2O4/c1-25-16-10-12(11-17(26-2)18(16)23)9-13-7-8-22-19(13)21-15-6-4-3-5-14(15)20(22)24/h3-6,9-11,23H,7-8H2,1-2H3/b13-9+
SMILES c1(c(cc(cc1OC)/C=C/1\CCn2c1nc1c(c2=O)cccc1)OC)O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCruciferaeIsatis indigotica Ref.
PlantaeCruciferaeIsatis tinctoria Ref.
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OrganismIsatis indigotica
ReferenceMolina,J.Nat.Prod.,64,(2001),1297