input word = C00057774

Metabolite InformationStructural formula
Name Tokinolide A
Formula C24H28O4
Mw 380.19875938
CAS RN 112899-62-4
C_ID C00057774
InChIKey UHSPLLCHEOVMGH-BUOZRGFLSA-N
InChICode InChI=1S/C24H28O4/c1-3-5-9-17-15-11-12-16-20(19(15)21(25)27-17)24-14-8-7-13-23(16,24)22(26)28-18(24)10-6-4-2/h7,9-10,13,16,20H,3-6,8,11-12,14H2,1-2H3/b17-9-,18-10+
SMILES CCC/C=C1OC(=O)C2=C1CCC1C2C23CCC=CC12C(=O)O/C3=C/CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica acutiloba Ref.
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OrganismAngelica acutiloba
ReferenceTsuchida, T. et al., Chem. Pharm. Bull., 1987, 35, 4460 (isol, struct)