input word = C00048436

Metabolite InformationStructural formula
Name Isoindigo
Formula C16H10N2O2
Mw 262.07422758
CAS RN 476-34-6
C_ID C00048436 ,
InChIKey MLCPSWPIYHDOKG-BUHFOSPRSA-N
InChICode InChI=1S/C16H10N2O2/c19-15-13(9-5-1-3-7-11(9)17-15)14-10-6-2-4-8-12(10)18-16(14)20/h1-8H,(H,17,19)(H,18,20)/b14-13+
SMILES c1ccc2c(c1)NC(=O)/C/2=C\1/C(=O)Nc2c1cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCruciferaeIsatis tinctoria Ref.
--Baphicacanthus cusia Ref.
zoom in