input word = C00017372

Metabolite InformationStructural formula
Name Ligularone
Formula C15H22O2
Mw 234.16197995
CAS RN 900789-90-4
C_ID C00017372 ,
InChIKey ANKFPIBCTISOBX-FYZIHCENNA-N
InChICode InChI=1S/C15H22O2/c1-9-8-17-12-7-11-6-4-5-10(2)15(11,3)14(16)13(9)12/h8,10-11,14,16H,4-7H2,1-3H3/t10-,11+,14+,15+/m0/s1
SMILES C1C[C@@H]([C@@]2([C@H](C1)Cc1c([C@H]2O)c(co1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia fischeri Ref.
PlantaeAsteraceaeLigularia sibirica Ref.
PlantaeAsteraceaePetasites japonicus Ref.
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