input word = C00010160

Metabolite InformationStructural formula
Name Calycosin 7-O-galactoside
Formula C22H22O10
Mw 446.12129692
CAS RN 114272-30-9
C_ID C00010160 ,
InChIKey WACBUPFEGWUGPB-QHLVKLAYNA-N
InChICode InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19+,20+,21-,22-/m1/s1
SMILES O(c1cc2c(c(=O)c(co2)c2ccc(c(c2)O)OC)cc1)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrifolium pratense Ref.
zoom in