input word = C00037310

Metabolite InformationStructural formula
Name Irisoquin
Formula C25H42O4
Mw 406.30830983
CAS RN 101339-26-8
C_ID C00037310 ,
InChIKey VOJSRSKBOJBZEK-UHFFFAOYSA-N
InChICode InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)22(26)20-23(29-2)25(21)28/h20,27H,3-19H2,1-2H3
SMILES C1(=CC(=O)C(=C(C1=O)CCCCCCCCCCCCCCCCCC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris kumaonensis Ref.
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OrganismIris kumaonensis
ReferenceMahmood,Phytochem.,61,(2002),923