input word = C00031115

Metabolite InformationStructural formula
Name Reinutrin
Quercetin 3-O-beta-D-xylopyranoside
Formula C20H18O11
Mw 434.08491142
CAS RN 549-32-6
C_ID C00031115 ,
InChIKey PZZRDJXEMZMZFD-DYMCFMHENA-N
InChICode InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17+,20+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHydrocharitaceaeThalassia ciliatum Ref.
PlantaeSaxifragaceaeRodgersia podophylla Ref.
zoom in



OrganismThalassia ciliatum
ReferenceZidorn, C., Phytochemistry, 124, (2016), 5-28.