input word = C00012156

Metabolite InformationStructural formula
Name Confertolide
Formula C21H28O9
Mw 424.17333249
CAS RN 27479-41-0
C_ID C00012156 ,
InChIKey VKIDPKASUKMXFA-IFUHIPLZNA-N
InChICode InChI=1S/C21H28O9/c1-10-8-16(28-13(4)24)17-14(9-26-11(2)22)20(25)29-18(17)19-21(5,30-19)7-6-15(10)27-12(3)23/h10,15-16,18-19H,6-9H2,1-5H3/t10-,15-,16-,18-,19-,21+/m0/s1
SMILES CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@H](C)[C@@H](OC(C)=O)CC[C@@]3(C)O[C@H]3[C@H]2OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia conferta Ref.
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OrganismVernonia conferta
ReferenceToubiana,Tetrahedron Lett.,(1974),1755