input word = C00020882

Metabolite InformationStructural formula
Name Inuchinenolide B
Formula C17H22O5
Mw 306.14672381
CAS RN 79464-34-9
C_ID C00020882 ,
InChIKey PHMCCYUSORUPSX-RWLSNNCLNA-N
InChICode InChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h11-14,20H,2,5-7H2,1,3-4H3/t11-,12-,13-,14+,17-/m1/s1
SMILES C=C1C(=O)O[C@@H]2CC(C)=C3[C@@H](OC(C)=O)C[C@@](C)(O)[C@@H]3C[C@H]12
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)