input word = C00036511

Metabolite InformationStructural formula
Name 3,3',4-tri-O-Methylellagic acid 4'-O-beta-D-glucopyranoside
Formula C23H22O13
Mw 506.10604079
CAS RN 51768-14-0
C_ID C00036511 ,
InChIKey RKFCDGOVCBYSEW-SKNPDAQPNA-N
InChICode InChI=1S/C23H22O13/c1-30-9-4-7-12-13-8(22(29)35-19(12)17(9)31-2)5-10(18(32-3)20(13)36-21(7)28)33-23-16(27)15(26)14(25)11(6-24)34-23/h4-5,11,14-16,23-27H,6H2,1-3H3/t11-,14-,15+,16-,23-/m1/s1
SMILES COc1cc2c(=O)oc3c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc(c1OC)c2c34
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/NyssaceaeNyssa sylvatica Ref.
PlantaeEuphorbiaceaeEuphorbia sessiliflora Roxb. Ref.
PlantaeGunneraceaeGunnera sp. Ref.
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