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 O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHydrocharitaceaeThalassia ciliatum Ref.
PlantaeSaxifragaceaeRodgersia podophylla Ref.
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