input word = C00004959

Metabolite InformationStructural formula
Name Quercetin 3,7-di-O-sulfate
Formula C15H10O13S2
Mw 461.95628187
CAS RN 106533-85-1
C_ID C00004959 ,
InChIKey WFXOPUUONQJQRD-UHFFFAOYSA-N
InChICode InChI=1S/C15H10O13S2/c16-8-2-1-6(3-9(8)17)14-15(28-30(23,24)25)13(19)12-10(18)4-7(5-11(12)26-14)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)
SMILES c1(cc(c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)O)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea alexandrina Ref.
PlantaeAsteraceaeFlaveria bidentis Ref.
PlantaeAsteraceaeIphiona mucronata Ref.
PlantaeAsteraceaeIphiona scabra Ref.
PlantaeAsteraceaePluchea dioscorides Ref.
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