input word = C00004961

Metabolite InformationStructural formula
Name Quercetin 3,4'-di-O-sulfate
Formula C15H10O13S2
Mw 461.95628187
CAS RN 71368-04-2
C_ID C00004961 ,
InChIKey MUUFJLJGMRBUTO-UHFFFAOYSA-N
InChICode InChI=1S/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-10(8(17)3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)
SMILES O=c1c(OS(=O)(=O)O)c(-c2ccc(OS(=O)(=O)O)c(O)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeFlaveria bidentis Ref.
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