input word = C00004965

Metabolite InformationStructural formula
Name Quercetin 3,7,3',4'-tetra-O-sulfate
Formula C15H10O19S4
Mw 621.86991106
CAS RN 37791-22-3
C_ID C00004965 ,
InChIKey OMQGPSILOWIPLU-UHFFFAOYSA-N
InChICode InChI=1S/C15H10O19S4/c16-8-4-7(31-35(18,19)20)5-11-12(8)13(17)15(34-38(27,28)29)14(30-11)6-1-2-9(32-36(21,22)23)10(3-6)33-37(24,25)26/h1-5,16H,(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)
SMILES c1(cc(c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeFlaveria bidentis Ref.
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