input word = C00034767

Metabolite InformationStructural formula
Name 4,5-Dehydrodiligustilide
Formula C24H26O4
Mw 378.18310932
CAS RN 884313-51-3
C_ID C00034767 ,
InChIKey KKXDPTDDMLHVAK-MYFALCIDNA-N
InChICode InChI=1S/C24H26O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6-7,9-11,14-15,17H,3-5,8,12-13H2,1-2H3/b20-11-/t15-,17-,23+,24+/m1/s1
SMILES [C@H]1([C@H]2C=C3[C@]([C@]41c1c(C(=O)O4)cccc1)(/C(=C/CCC)/OC3=O)CC2)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLigusticum chuanxiong Ref.
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OrganismLigusticum chuanxiong
ReferenceLim,Phytochem.,67,(2006),728