input word = C00006072

Metabolite InformationStructural formula
Name Isorhamnetin 3-glucuronide-7-sulfate
Formula C22H20O16S
Mw 572.04720532
CAS RN 56857-63-7
C_ID C00006072 ,
InChIKey WZDPRCUVWISQMO-GAOPBNHONA-N
InChICode InChI=1S/C22H20O16S/c1-34-11-4-7(2-3-9(11)23)18-19(36-22-17(28)15(26)16(27)20(37-22)21(29)30)14(25)13-10(24)5-8(6-12(13)35-18)38-39(31,32)33/h2-6,15-17,20,22-24,26-28H,1H3,(H,29,30)(H,31,32,33)/t15-,16+,17+,20+,22-/m1/s1
SMILES COc1cc(-c2oc3cc(OS(=O)(=O)O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFrankeniaceaeFrankenia pulverulenta Ref.
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