input word = C00020343

Metabolite InformationStructural formula
Name Inuchinenolide A
Formula C17H22O5
Mw 306.14672381
CAS RN 79383-84-9
C_ID C00020343 ,
InChIKey MLXCWANLSPBFEG-UHFFFAOYNA-N
InChICode InChI=1S/C17H22O5/c1-9-7-14-16(11(3)17(20)22-14)15(21-12(4)19)8-13(9)6-5-10(2)18/h8-9,14-16H,3,5-7H2,1-2,4H3/t9-,14+,15-,16-/m0/s1
SMILES C=C1C(=O)OC2CC(C)C(CCC(C)=O)=CC(OC(C)=O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula britannica Ref.
PlantaeAsteraceaeInula japonica Ref.
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OrganismInula japonica
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)