input word = C00011924

Metabolite InformationStructural formula
Name Agglomerone
Formula C13H18O4
Mw 238.12050906
CAS RN 22595-43-3
C_ID C00011924 ,
InChIKey NQBCCNHGJDEUDS-UHFFFAOYNA-N
InChICode InChI=1S/C13H18O4/c1-7(2)11(15)10-8(14)6-9(17-5)13(3,4)12(10)16/h6-7,10H,1-5H3/t10-/m0/s1
SMILES C1=C(C(C(=O)[C@@H](C1=O)C(=O)C(C)C)(C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus agglomerata Ref.
PlantaeMyrtaceaeEucalyptus mackliana Ref.
PlantaeMyrtaceaeEucalyptus mckieana Ref.
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OrganismEucalyptus mckieana
ReferenceHellyer,Aust.J.Chem.,17,(1964),1418