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 c12c(c(c3c(c1c1ccc4c(c1)OCO4)cc(c(c3)OC)OC)OC)C(=O)OC2
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 ciliata
ReferenceDay,J.Nat.Prod.,62,(1999),1056