input word = C00006087

Metabolite InformationStructural formula
Name Vitexin 7-O-sulfate
Formula C21H20O13S
Mw 512.06246146
CAS RN
C_ID C00006087 ,
InChIKey MXMSFDUOWABTRB-RJFRUACSNA-N
InChICode InChI=1S/C21H20O13S/c22-7-14-17(26)18(27)19(28)21(33-14)16-13(34-35(29,30)31)6-11(25)15-10(24)5-12(32-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-23,25-28H,7H2,(H,29,30,31)/t14-,17-,18+,19-,21+/m1/s1
SMILES O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(OS(=O)(=O)O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePalmaePhoenix roebelenii Ref.
PlantaePalmaeWashingtonia robusta Ref.
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