input word = C00050823

Metabolite InformationStructural formula
Name Indigotiisocoumarin A
Formula C14H11NO4
Mw 257.06880785
CAS RN 924890-68-6
C_ID C00050823
InChIKey BHWNLASARLHROX-UHFFFAOYSA-N
InChICode InChI=1S/C14H11NO4/c16-7-10-3-11-9(4-12(10)17)5-13(19-14(11)18)8-1-2-15-6-8/h1-6,15-17H,7H2
SMILES O=c1oc(-c2cc[nH]c2)cc2cc(O)c(CO)cc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeIsatis indigotica Ref.
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