input word = C00020939

Metabolite InformationStructural formula
Name Macrocliniside C
Formula C21H28O8
Mw 408.17841787
CAS RN 94474-63-2
C_ID C00020939 ,
InChIKey HYHULTLAIDHNLO-IGTRXBTINA-N
InChICode InChI=1S/C21H28O8/c1-8-4-15-13(10(3)20(26)27-15)5-12-9(2)14(6-11(8)12)28-21-19(25)18(24)17(23)16(7-22)29-21/h11-19,21-25H,1-7H2/t11-,12-,13+,14-,15-,16+,17+,18-,19+,21+/m0/s1
SMILES [C@@H]12[C@@H](C[C@H]3[C@H](CC1=C)OC(=O)C3=C)C(=C)[C@H](C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMacroclinidium trilobum Ref.
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