input word = C00002467

Metabolite InformationStructural formula
Name Dicoumarol
Formula C19H12O6
Mw 336.06338812
CAS RN 66-76-2
C_ID C00002467 ,
InChIKey DOBMPNYZJYQDGZ-UHFFFAOYSA-N
InChICode InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
SMILES c1ccc2c(c1)c(c(c(=O)o2)Cc1c(=O)oc2c(c1O)cccc2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMelilotus alba Ref.
PlantaeFabaceaeMelilotus spp. Ref.
PlantaePoaceaeAnthoxanthum spp. Ref.
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OrganismAnthoxanthum spp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter35