input word = C00011408

Metabolite InformationStructural formula
Name Icariside C3
Formula C21H38O8
Mw 418.25666819
CAS RN 108906-48-5
C_ID C00011408 ,
InChIKey YMBIFCWAAQZSSV-RVTPZQPYNA-N
InChICode InChI=1S/C21H38O8/c1-6-21(5,11-7-8-13(2)9-10-15(23)20(3,4)27)29-19-18(26)17(25)16(24)14(12-22)28-19/h6,8,14-19,22-27H,1,7,9-12H2,2-5H3/b13-8+/t14-,15+,16-,17+,18-,19-,21-/m1/s1
SMILES CC([C@H](CC/C(=C/CC[C@@](C=C)(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)/C)O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
PlantaeBerberidaceaeEpimedium grandiflorum Ref.
PlantaeThymelaeaceaePhaleria macrocarpa Ref.
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OrganismCalendula officinalis
ReferenceYoshikawa,Chem.Pharm.Bull.,49,(2001),863