input word = C00004472

Metabolite InformationStructural formula
Name Isoetin 2'-xyloside
Formula C20H18O11
Mw 434.08491142
CAS RN 134981-95-6
C_ID C00004472 ,
InChIKey KDJLAZUNMUDLGA-IIHSFAARNA-N
InChICode InChI=1S/C20H18O11/c21-7-1-11(24)17-12(25)5-14(30-16(17)2-7)8-3-9(22)10(23)4-15(8)31-20-19(28)18(27)13(26)6-29-20/h1-5,13,18-24,26-28H,6H2/t13-,18-,19+,20-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1cc(c(cc1O[C@@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHypochoeris laevigata Ref.
PlantaeAsteraceaeHypochoeris maculata Ref.
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