input word = C00012326

Metabolite InformationStructural formula
Name Ivaxillin
Formula C15H22O4
Mw 266.15180919
CAS RN 11014-50-9
C_ID C00012326 ,
InChIKey NEDIZKCLFIUESJ-UHFFFAOYNA-N
InChICode InChI=1S/C15H22O4/c1-8-9-6-12-14(2,19-12)5-4-11-15(3,18-11)7-10(9)17-13(8)16/h8-12H,4-7H2,1-3H3/t8-,9-,10+,11-,12+,14-,15-/m0/s1
SMILES CC1C(=O)OC2CC3(C)OC3CCC3(C)OC3CC21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIva axillaris Ref.
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