input word = C00011853

Metabolite InformationStructural formula
Name Acanthospermal A
Formula C23H30O8
Mw 434.19406794
CAS RN 56689-33-9
C_ID C00011853 ,
InChIKey UJBPJKIMHZUROX-CPKNIGMANA-N
InChICode InChI=1S/C23H30O8/c1-12(2)20(25)30-19-17-14(4)21(26)29-16(17)10-13(3)8-7-9-15(11-24)18(19)31-22(27)23(5,6)28/h9-12,16-19,28H,4,7-8H2,1-3,5-6H3/b13-10+,15-9-/t16-,17+,18-,19-/m0/s1
SMILES C\1(=C\CC/C(=C/[C@H]2[C@H]([C@@H]([C@H]1OC(=O)C(C)(O)C)OC(=O)C(C)C)C(=C)C(=O)O2)/C)/C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcanthospermum australe Ref.
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OrganismAcanthospermum australe
ReferenceHerz,J.Org.Chem.,40,(1975),3486