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 CCC/C=C1OC(=O)C2=C1CC[C@H]1[C@@H]2C2(OC(=O)C3=C2CCC=C3)[C@H]1CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLigusticum chuanxiong HORT. Ref.
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