input word = C00011751

Metabolite InformationStructural formula
Name Liscunditrin
Formula C22H26O9
Mw 434.15768243
CAS RN 57498-88-1
C_ID C00011751 ,
InChIKey XUMWIQSSHLAZBI-IFZXGSHUNA-N
InChICode InChI=1S/C22H26O9/c1-5-12(9-27-11(3)24)21(26)29-15-7-22(4)19(31-22)18-17(30-18)13(8-23)6-14-16(15)10(2)20(25)28-14/h5-6,14-19,23H,2,7-9H2,1,3-4H3/b12-5-,13-6-/t14-,15+,16-,17-,18-,19+,22-/m0/s1
SMILES [C@H]12[C@H](/C(=C\[C@H]3[C@@H]([C@@H](C[C@]4([C@@H]1O4)C)OC(=O)/C(=C\C)/COC(=O)C)C(=C)C(=O)O3)/CO)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris secunda Ref.
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OrganismLiatris secunda
ReferenceHerz,Phytochem.,14,(1975),1561