input word = C00012105

Metabolite InformationStructural formula
Name Liatripunctin
Formula C20H26O7
Mw 378.16785319
CAS RN 57526-55-3
C_ID C00012105 ,
InChIKey SUXRDYUTTDFKDJ-OSXXSEEYNA-N
InChICode InChI=1S/C20H26O7/c1-11-5-4-7-20(3)17(27-20)16-15(12(2)18(23)26-16)14(9-11)25-19(24)13(10-22)6-8-21/h5-6,14-17,21-22H,2,4,7-10H2,1,3H3/b11-5+,13-6-/t14-,15-,16+,17-,20+/m1/s1
SMILES C1C[C@]2([C@@H]([C@@H]3[C@@H]([C@@H](C/C(=C/1)/C)OC(=O)/C(=C\CO)/CO)C(=C)C(=O)O3)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris punctata Ref.
PlantaeAsteraceaeLiatris secunda Ref.
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