input word = C00005727

Metabolite InformationStructural formula
Name Myricetin 3-xyloside
Formula C20H18O12
Mw 450.07982604
CAS RN 102849-44-5
C_ID C00005727 ,
InChIKey SBEOEJNITMVWLK-GXSUECIUNA-N
InChICode InChI=1S/C20H18O12/c21-7-3-8(22)13-12(4-7)31-18(6-1-9(23)14(26)10(24)2-6)19(16(13)28)32-20-17(29)15(27)11(25)5-30-20/h1-4,11,15,17,20-27,29H,5H2/t11-,15+,17-,20+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1[C@H]([C@@H]([C@H](CO1)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaePatersonia maxwellii Ref.
PlantaeLythraceaeDiplusodon speciosus Ref.
PlantaeSaxifragaceaeHeuchera micrantha Ref.
PlantaeSaxifragaceaeHeuchera villosa Ref.
PlantaeSaxifragaceaeLeptarrhena pyrolifolia Ref.
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