input word = C00015789

Metabolite InformationStructural formula
Name Icariside E3
Formula C26H36O11
Mw 524.22576199
CAS RN 117613-74-8
C_ID C00015789 ,
InChIKey LEGVQDWMCXTVHB-AFLZPFICNA-N
InChICode InChI=1S/C26H36O11/c1-34-19-10-15(5-6-18(19)30)8-16(12-28)17-9-14(4-3-7-27)11-20(35-2)25(17)37-26-24(33)23(32)22(31)21(13-29)36-26/h5-6,9-11,16,21-24,26-33H,3-4,7-8,12-13H2,1-2H3/t16-,21-,22-,23+,24-,26+/m1/s1
SMILES COc1cc(CC(CO)c2cc(CCCO)cc(OC)c2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium grandiflorum var. thunbergianum Ref.
PlantaeFabaceaeSaraca asoca Ref.
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