input word = C00042287

Metabolite InformationStructural formula
Name Bisindigotin
Formula C32H18N4O2
Mw 490.14297585
CAS RN 849613-34-9
C_ID C00042287 ,
InChIKey LZGZSWNCEMPXSX-HYOGKJQXSA-N
InChICode InChI=1S/C32H18N4O2/c37-31-19-11-3-7-15-23(19)35-29(31)27-25(17-9-1-5-13-21(17)33-27)26-18-10-2-6-14-22(18)34-28(26)30-32(38)20-12-4-8-16-24(20)36-30/h1-16,33,36H/b30-28-
SMILES O=C1C(c2[nH]c3ccccc3c2C2=c3ccccc3=N/C2=C2Nc3ccccc3C2=O)=Nc2ccccc21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate IPP
Organism
Kingdom Family Species Reference
PlantaeCruciferaeIsatis indigotica Ref.
PlantaeCruciferaeIsatis tinctoria Ref.
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