input word = C00031173

Metabolite InformationStructural formula
Name Riligustilide
(-)-Riligustilide
Formula C24H28O4
Mw 380.19875938
CAS RN 89354-45-0
C_ID C00031173 ,
InChIKey TYSOMZQRYGBSKN-PJBYLHJDNA-N
InChICode InChI=1S/C24H28O4/c1-3-5-11-19-16-13-12-14-17(8-4-2)24(21(14)20(16)23(26)27-19)18-10-7-6-9-15(18)22(25)28-24/h6,9,11,14,17,21H,3-5,7-8,10,12-13H2,1-2H3/b19-11-/t14-,17+,21+,24-/m1/s1
SMILES [C@@H]1([C@@H]2[C@H]([C@@]31C1=C(C(=O)O3)C=CCC1)C1=C(CC2)/C(=C/CCC)/OC1=O)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLigusticum chuanxiong HORT. Ref.
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OrganismLigusticum chuanxiong HORT.
ReferenceLi,Chem.Pharm.Bull.,55,(2007),140