input word = C00006076

Metabolite InformationStructural formula
Name Gossypetin 8-glucuronide-3-sulfate
Formula C21H18O17S
Mw 574.02646988
CAS RN
C_ID C00006076 ,
InChIKey HUZYIABAGFALTN-WBMUDLIONA-N
InChICode InChI=1S/C21H18O17S/c22-6-2-1-5(3-7(6)23)15-18(38-39(32,33)34)11(26)10-8(24)4-9(25)16(17(10)35-15)36-21-14(29)12(27)13(28)19(37-21)20(30)31/h1-4,12-14,19,21-25,27-29H,(H,30,31)(H,32,33,34)/t12-,13-,14-,19+,21+/m0/s1
SMILES c1(cc(c2c(c1O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeMalva sylvestris Ref.
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