input word = C00005833

Metabolite InformationStructural formula
Name Icaritin 3-rhamnoside
Formula C27H32O11
Mw 532.19446187
CAS RN 108195-76-2
C_ID C00005833 ,
InChIKey MDKYYFBRCUVEAN-SYBYQEONNA-N
InChICode InChI=1S/C27H32O11/c1-12-19(30)21(32)22(33)26(36-12)38-25-20(31)18-17(29)11-16(28)15(9-10-27(2,3)34)24(18)37-23(25)13-5-7-14(35-4)8-6-13/h5-8,11-12,19,21-22,26,28-30,32-34H,9-10H2,1-4H3/t12-,19+,21+,22+,26+/m1/s1
SMILES c1(cc(c2c(c1CCC(C)(C)O)oc(c(c2=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)c1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium sagittatum Ref.
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