input word = C00005752

Metabolite InformationStructural formula
Name Annulatin 3'-glucoside
Formula C22H22O13
Mw 494.10604079
CAS RN 31105-82-5
C_ID C00005752 ,
InChIKey BWVLOICUZVJWAO-SKKJRVDZNA-N
InChICode InChI=1S/C22H22O13/c1-32-21-17(29)14-9(25)4-8(24)5-11(14)33-20(21)7-2-10(26)15(27)12(3-7)34-22-19(31)18(30)16(28)13(6-23)35-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16-,18-,19-,22-/m1/s1
SMILES COc1c(-c2cc(O)c(O)c(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)c2)oc2cc(O)cc(O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOnagraceaeOenothera spp. Ref.
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