input word = C00013909

Metabolite InformationStructural formula
Name Quercetin 7-methyl ether 3,3'-disulfate
Rhamnetin 3,3'-disulfate
5-Hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-methoxy-3-(sulfooxy)-4H-1-benzopyran-4-one
Formula C16H12O13S2
Mw 475.97193193
CAS RN 116353-78-7
C_ID C00013909 ,
InChIKey JEBHZRIZTUAWRU-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O13S2/c1-26-8-5-10(18)13-12(6-8)27-15(16(14(13)19)29-31(23,24)25)7-2-3-9(17)11(4-7)28-30(20,21)22/h2-6,17-18H,1H3,(H,20,21,22)(H,23,24,25)
SMILES c1c(ccc(c1OS(=O)(=O)O)O)c1oc2c(c(=O)c1OS(=O)(=O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeArgyreia mollis Ref.
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