input word = C00002188

Metabolite InformationStructural formula
Name Melochinone
Formula C22H21NO2
Mw 331.15722892
CAS RN 57609-68-4
C_ID C00002188 ,
InChIKey DNBWHNVLJOVDJI-UHFFFAOYSA-N
InChICode InChI=1S/C22H21NO2/c1-14-22(25-2)21(24)20-18-11-7-6-10-16(15-8-4-3-5-9-15)17(18)12-13-19(20)23-14/h3-5,8-10,12-13H,6-7,11H2,1-2H3,(H,23,24)
SMILES c12ccc3c(c1CCCC=C2c1ccccc1)c(=O)c(c([nH]3)C)OC
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeMelochia tomentosa Ref.
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OrganismMelochia tomentosa
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter27