input word = C00053686

Metabolite InformationStructural formula
Name Pinnarin
Formula C16H18O4
Mw 274.12050906
CAS RN 22333-50-2
C_ID C00053686
InChIKey DNBDXDMBMXOOJS-UHFFFAOYSA-N
InChICode InChI=1S/C16H18O4/c1-6-16(2,3)14-12(19-5)9-11(18-4)10-7-8-13(17)20-15(10)14/h6-9H,1H2,2-5H3
SMILES O=C1OC2=C(C(C=C)(C)C)C(OC)=CC(OC)=C2C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
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