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 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
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OrganismRuta graveolens
ReferenceTschesche, R. et al., Annalen, 1963, 662, 113-125 (Daphnoretin)