input word = C00057766

Metabolite InformationStructural formula
Name Tussilagonone
Formula C21H30O3
Mw 330.21949482
CAS RN 110042-38-1
C_ID C00057766
InChIKey ORVROQPLYIDWBD-QWCDRRILSA-N
InChICode InChI=1S/C21H30O3/c1-7-13(5)9-20(23)24-19-11-16(12(3)4)21-15(8-2)18(22)10-17(21)14(19)6/h8-9,12,16-17,19,21H,6-7,10-11H2,1-5H3/b13-9+,15-8+/t16-,17-,19+,21-/m0/s1
SMILES O=C1C[C@@]2([H])C([C@H](OC(/C=C(C)/CC)=O)C[C@@H](C(C)C)[C@]2([H])/C1=C/C)=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTussilago farfara Ref.
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