input word = C00056896

Metabolite InformationStructural formula
Name Prechafuroside B
Formula C21H20O13S
Mw 512.06246146
CAS RN 1173925-24-0
C_ID C00056896
InChIKey OSALNYNYADJXIW-BOCLWZTGSA-N
InChICode InChI=1S/C21H20O13S/c22-7-14-17(27)18(28)21(34-35(29,30)31)20(33-14)16-11(25)5-10(24)15-12(26)6-13(32-19(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-18,20-25,27-28H,7H2,(H,29,30,31)/t14-,17-,18+,20+,21-/m1/s1
SMILES O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OS(=O)(=O)O)c(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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