input word = C00013903

Metabolite InformationStructural formula
Name Quercetin 3-methyl ether 5-glucoside-3'-sulfate
Formula C22H22O15S
Mw 558.06794077
CAS RN
C_ID C00013903 ,
InChIKey KKOARJDNEWBYPV-BAZAILPONA-N
InChICode InChI=1S/C22H22O15S/c1-33-21-17(27)15-12(34-20(21)8-2-3-10(25)11(4-8)37-38(30,31)32)5-9(24)6-13(15)35-22-19(29)18(28)16(26)14(7-23)36-22/h2-6,14,16,18-19,22-26,28-29H,7H2,1H3,(H,30,31,32)/t14-,16-,18+,19-,22-/m1/s1
SMILES c1c(ccc(c1OS(=O)(=O)O)O)c1oc2c(c(=O)c1OC)c(cc(c2)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRestionaceaeCalorophus elongatus Ref.
zoom in