input word = C00021072

Metabolite InformationStructural formula
Name Inuchinenolide C
Formula C19H26O7
Mw 366.16785319
CAS RN 79383-83-8
C_ID C00021072 ,
InChIKey QFJNAUKGMNMIGV-XTDJCKLGNA-N
InChICode InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(22)19(5)14(25-11(4)21)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15+,16-,17+,19-/m1/s1
SMILES [C@@H]12[C@]([C@H]([C@@H]3[C@H](C[C@H]1C)OC(=O)C3=C)O)([C@H](C[C@@H]2OC(=O)C)OC(=O)C)C
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)