input word = C00020537

Metabolite InformationStructural formula
Name Macrocliniside F
Formula C21H32O9
Mw 428.20463262
CAS RN 100228-52-2
C_ID C00020537 ,
InChIKey FHJCIEPIVAMXRP-DBZIUEFHNA-N
InChICode InChI=1S/C21H32O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h8-19,21-26H,1,4-6H2,2-3H3/t8-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1
SMILES C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMacroclinidium trilobum Ref.
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OrganismMacroclinidium trilobum
ReferenceMiyase,Chem. Pharm. Bull.,33,(1985),4445