C00004603 - Betula nigra
C_ID C00004603
CAS RN 569-80-2
Metabolite Penduletin;5,4'-Dihydroxy-3,6,7-trimethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one
Molecular Formula C18H16O7
Organism Betula nigra
Kingdom Plantae
Family Betulaceae
Genus Betula
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccc(cc1)O)O)OC)OC
InChI InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3
InChIKey YSXFFLGRZJWNFM-UHFFFAOYSA-N
Reference Harborne, The Handbook of Natural Flavonoids, 1, (1999), 181.Flavonols;Flores,Tetrahedron,2,(1958),308;Flores,Tetrahedron,4,(1958),132
Structural formula image