input word = C00006107

Metabolite InformationStructural formula
Name Isoaffinetin
6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C21H20O12
Mw 464.09547611
CAS RN 60476-24-6
C_ID C00006107 ,
InChIKey YVQAFWXBYGHQPW-FMHQCRKXNA-N
InChICode InChI=1S/C21H20O12/c22-5-13-17(28)19(30)20(31)21(33-13)15-8(24)4-12-14(18(15)29)7(23)3-11(32-12)6-1-9(25)16(27)10(26)2-6/h1-4,13,17,19-22,24-31H,5H2/t13-,17-,19+,20-,21+/m1/s1
SMILES O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlumbaginaceaePlumbago zeylanica Ref.
PlantaePolygonaceaePolygonum affine Ref.
PlantaeSapotaceaeManilkara indica Ref.
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