input word = C00006053

Metabolite InformationStructural formula
Name Ikarisoside D
Formula C28H30O11
Mw 542.1788118
CAS RN 113558-12-6
C_ID C00006053 ,
InChIKey ZVEFBUCBFFPLIG-ODXWPQEFNA-N
InChICode InChI=1S/C28H30O11/c1-12(2)5-10-17-18(31)11-19(32)20-21(33)27(25(38-26(17)20)15-6-8-16(30)9-7-15)39-28-23(35)22(34)24(13(3)36-28)37-14(4)29/h5-9,11,13,22-24,28,30-32,34-35H,10H2,1-4H3/t13-,22+,23-,24-,28-/m0/s1
SMILES c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)OC(=O)C)C)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium grandiflorum Ref.
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