input word = C00021324

Metabolite InformationStructural formula
Name Acetoxymarsupellone
Formula C17H24O3
Mw 276.17254463
CAS RN 69624-77-7
C_ID C00021324 ,
InChIKey KTMFYMFFCCKGCP-UHFFFAOYNA-N
InChICode InChI=1S/C17H24O3/c1-10-13(19)8-12-15-14(10)17(12,9-20-11(2)18)7-5-6-16(15,3)4/h12,14-15H,1,5-9H2,2-4H3/t12-,14+,15-,17-/m0/s1
SMILES C1(=O)C(=C)[C@@H]2[C@@H]3[C@H](C1)[C@]2(CCCC3(C)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGymnomitriaceaeMarsupella emarginata Ref.
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OrganismMarsupella emarginata
ReferenceMatsuo,Chem. Lett.,1979,73