input word = C00005637

Metabolite InformationStructural formula
Name Patuletin 3-xyloside
Formula C21H20O12
Mw 464.09547611
CAS RN 107547-69-3
C_ID C00005637 ,
InChIKey KTNGRWRIFHAJGQ-QINRZBKYNA-N
InChICode InChI=1S/C21H20O12/c1-30-19-10(24)5-12-13(15(19)27)16(28)20(33-21-17(29)14(26)11(25)6-31-21)18(32-12)7-2-3-8(22)9(23)4-7/h2-5,11,14,17,21-27,29H,6H2,1H3/t11-,14-,17-,21+/m1/s1
SMILES c1(c(c(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)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLasthenia burkei Ref.
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