input word = C00004251

Metabolite InformationStructural formula
Name Isoscutellarein 4'-methyl ether 8-glucuronide
Formula C22H20O12
Mw 476.09547611
CAS RN 71815-36-6
C_ID C00004251 ,
InChIKey ZMYPSKWZWWORAM-JFDJYVSTNA-N
InChICode InChI=1S/C22H20O12/c1-31-9-4-2-8(3-5-9)13-7-11(24)14-10(23)6-12(25)18(19(14)32-13)33-22-17(28)15(26)16(27)20(34-22)21(29)30/h2-7,15-17,20,22-23,25-28H,1H3,(H,29,30)/t15-,16-,17+,20-,22+/m0/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)c3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTakakiaceaeTakakia lepidozioides Ref.
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