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CHEBI:175303 - O-Acetylcyclocalopin A

ChEBI IDCHEBI:175303
ChEBI NameO-Acetylcyclocalopin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O7
Net Charge0
Average Mass338.356
Monoisotopic Mass338.13655
SMILES[H][C@]12[C@H](C)COC(=O)[C@@]1([H])O[C@@](C)(O)[C@@]21CC=C(C)C(=O)[C@H]1OC(C)=O
InChIInChI=1S/C17H22O7/c1-8-5-6-17(14(12(8)19)23-10(3)18)11-9(2)7-22-15(20)13(11)24-16(17,4)21/h5,9,11,13-14,21H,6-7H2,1-4H3/t9-,11+,13+,14-,16-,17+/m1/s1
InChIKeyRFOIMKJJHPMORA-CNORLRFSSA-N
ChEBI Ontology
Outgoing Relation(s)
O-Acetylcyclocalopin A (CHEBI:175303) is a furopyran (CHEBI:74927)
IUPAC Name 
[(1'S,2R,3S,3aR,4S,7aS)-2-hydroxy-2,3',4-trimethyl-2',7-dioxospiro[3a,4,5,7a-tetrahydrouro[2,3-c]pyran-3,6'-cyclohex-3-ene]-1'-yl] acetate
Manual XrefsDatabases
9177435ChemSpider