input word = C00004451

Metabolite InformationStructural formula
Name Tricetin 7-glucoside
Formula C21H20O12
Mw 464.09547611
CAS RN 77298-67-0
C_ID C00004451 ,
InChIKey BGNFAXBUPZDKDC-NXBQWJJBNA-N
InChICode InChI=1S/C21H20O12/c22-6-15-18(28)19(29)20(30)21(33-15)31-8-3-9(23)16-10(24)5-13(32-14(16)4-8)7-1-11(25)17(27)12(26)2-7/h1-5,15,18-23,25-30H,6H2/t15-,18-,19+,20-,21-/m1/s1
SMILES O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBiebersteiniaceaeBiebersteinia orphanidis Ref.
PlantaeTaxodiaceaeMetasequoia glyptostroboides Ref.
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