input word = C00013910

Metabolite InformationStructural formula
Name Quercetin 7-methyl ether 3,3',4'-trisulfate
Rhamnetin 3,3',4'-trisulfate
2-[3,4-Bis(sulfooxy)phenyl]-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-benzopyran-4-one
Formula C16H12O16S3
Mw 555.92874653
CAS RN 116353-84-5
C_ID C00013910 ,
InChIKey FFSSGPGAKCNOKR-UHFFFAOYSA-N
InChICode InChI=1S/C16H12O16S3/c1-28-8-5-9(17)13-12(6-8)29-15(16(14(13)18)32-35(25,26)27)7-2-3-10(30-33(19,20)21)11(4-7)31-34(22,23)24/h2-6,17H,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27)
SMILES c1c(ccc(c1OS(=O)(=O)O)OS(=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
PlantaeTamaricaceaeTamarix amplexicaulis Ref.
zoom in