input word = C00049575

Metabolite InformationStructural formula
Name Neojusticin B
Justicidin C
Formula C22H18O7
Mw 394.10525293
CAS RN 17803-12-2
C_ID C00049575 ,
InChIKey RHTTTZYNBXNPSZ-UHFFFAOYSA-N
InChICode InChI=1S/C22H18O7/c1-24-16-7-12-13(8-17(16)25-2)21(26-3)20-14(9-27-22(20)23)19(12)11-4-5-15-18(6-11)29-10-28-15/h4-8H,9-10H2,1-3H3
SMILES COc1cc2c(OC)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)COC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia ciliata Ref.
PlantaeAcanthaceaeJusticia procumbens Ref.
PlantaeAcanthaceaeJusticia simplex Ref.
--Rostellularia procumbens Ref.
--Rostellularia procumbens var.leucantha Ref.
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OrganismJusticia simplex
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)