input word = C00000611

Metabolite InformationStructural formula
Name Justicidin E
Justicidine E
Formula C20H12O6
Mw 348.06338812
CAS RN 27792-97-8
C_ID C00000611 ,
InChIKey VSMWRDYVLPCABE-UHFFFAOYSA-N
InChICode InChI=1S/C20H12O6/c21-20-13-3-11-5-17-18(26-9-25-17)6-12(11)19(14(13)7-22-20)10-1-2-15-16(4-10)24-8-23-15/h1-6H,7-9H2
SMILES c12c(cc3c(c1)cc1c(c3c3cc4c(cc3)OCO4)COC1=O)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeHypoestes purpurea Ref.
PlantaeAcanthaceaeJusticia procumbens Ref.
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