input word = C00005118

Metabolite InformationStructural formula
Name Icaritin
Formula C21H22O7
Mw 386.13655306
CAS RN
C_ID C00005118 ,
InChIKey VAYWXTLNNGACLF-UHFFFAOYSA-N
InChICode InChI=1S/C21H22O7/c1-21(2,26)9-8-13-14(22)10-15(23)16-17(24)18(25)19(28-20(13)16)11-4-6-12(27-3)7-5-11/h4-7,10,22-23,25-26H,8-9H2,1-3H3
SMILES c1(cc(c2c(c1CCC(C)(C)O)oc(c(c2=O)O)c1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium mecranthum Ref.
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