input word = C00022512

Metabolite InformationStructural formula
Name Methyl 8,16,16,17-bisoxide-acritoconfertoate
Formula C21H28O5
Mw 360.193674
CAS RN 88862-07-1
C_ID C00022512 ,
InChIKey FEYZLWQQBSLKES-KHIWBJPINA-N
InChICode InChI=1S/C21H28O5/c1-19(2)6-5-7-20(3)15-12-8-11(9-14(23)24-4)18-25-17(12)21(15,26-18)10-13(22)16(19)20/h9,12,15-18H,5-8,10H2,1-4H3/b11-9-/t12-,15+,16-,17-,18-,20+,21+/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@H]1[C@]3(CC2=O)O[C@@H]2/C(=C\C(=O)OC)/C[C@H]1[C@H]3O2)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcritopappus confertus Ref.
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OrganismAcritopappus confertus
ReferenceBohlmann,Phytochem.,22,(1983),2243