input word = C00013899

Metabolite InformationStructural formula
Name Quercetin 7,4'-disulfate
Formula C15H10O13S2
Mw 461.95628187
CAS RN 176261-32-8
C_ID C00013899 ,
InChIKey JGPKFVBNXITRAO-UHFFFAOYSA-N
InChICode InChI=1S/C15H10O13S2/c16-8-3-6(1-2-10(8)28-30(23,24)25)15-14(19)13(18)12-9(17)4-7(5-11(12)26-15)27-29(20,21)22/h1-5,16-17,19H,(H,20,21,22)(H,23,24,25)
SMILES c1c(cc(c(c1)OS(=O)(=O)O)O)c1oc2c(c(=O)c1O)c(cc(c2)OS(=O)(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAlchornea laxiflora Ref.
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