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 O=C1Nc2ccccc2/C1=C1C(=O)Nc2ccccc21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCruciferaeIsatis tinctoria Ref.
--Baphicacanthus cusia Ref.
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OrganismBaphicacanthus cusia
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (selection version), Shanghai Science and technology Press, Shanghai, (1998).

Leclerc, et al., J. Biol. Chem., 276, (2001), 25