input word = C00055391

Metabolite InformationStructural formula
Name Daphnoretin methyl ether
Formula C20H14O7
Mw 366.0739528
CAS RN 3749-38-0
C_ID C00055391
InChIKey BCLNKNUUTUITEA-UHFFFAOYSA-N
InChICode InChI=1S/C20H14O7/c1-23-16-7-12-8-18(20(22)27-15(12)10-17(16)24-2)25-13-5-3-11-4-6-19(21)26-14(11)9-13/h3-10H,1-2H3
SMILES O=C1C(OC2=CC(OC(C=C3)=O)=C3C=C2)=CC4=CC(OC)=C(OC)C=C4O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
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