input word = C00012081

Metabolite InformationStructural formula
Name Ligularinone B
Formula C20H28O4
Mw 332.19875938
CAS RN 64185-22-4
C_ID C00012081 ,
InChIKey YLDOPNCDYCPJSW-MMXJUCPUNA-N
InChICode InChI=1S/C20H28O4/c1-7-13(4)19(22)23-16-11-18-20(6,24-18)17(21)10-15(12(2)3)9-8-14(16)5/h7-8,15-16,18H,2,9-11H2,1,3-6H3/b13-7-,14-8+/t15-,16-,18+,20-/m0/s1
SMILES O(C(=O)/C(=C\C)/C)[C@H]1C[C@@H]2[C@](C(=O)C[C@H](C/C=C/1\C)C(=C)C)(O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia spp. Ref.
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OrganismLigularia spp.
ReferenceBohlmann,Chem.Ber..,110,(1977),2640