input word = C00057196

Metabolite InformationStructural formula
Name Neotussilagolactone
Formula C21H28O4
Mw 344.19875938
CAS RN 189389-03-5
C_ID C00057196
InChIKey DGIQURYKMOLFSK-PAXWMACESA-N
InChICode InChI=1S/C21H28O4/c1-7-13(5)9-19(22)25-18-10-16(12(3)4)20-15(8-2)21(23)24-11-17(20)14(18)6/h8-10,12,17-18,20H,6-7,11H2,1-5H3/b13-9+,15-8-/t17-,18+,20-/m0/s1
SMILES O=C1OC[C@]2([H])[C@@](C(C(C)C)=C[C@@H](OC(/C=C(C)/CC)=O)C2=C)([H])/C1=C/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTussilago farfara Ref.
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