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CHEBI:182873 - [(1S,3R,7Z,9R,12S,13R,15R)-13-Butan-2-yl-13-hydroxy-3,12-dimethyl-4,11-dioxo-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-dien-7-yl]methyl acetate

ChEBI IDCHEBI:182873
ChEBI Name[(1S,3R,7Z,9R,12S,13R,15R)-13-Butan-2-yl-13-hydroxy-3,12-dimethyl-4,11-dioxo-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-dien-7-yl]methyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O8
Net Charge0
Average Mass420.458
Monoisotopic Mass420.17842
SMILES[H][C@]12[C@]3(C)C(=O)O[C@]1([H])/C=C(/COC(C)=O)C1=CC(=O)[C@@](C)(C[C@]2([H])O[C@]3(O)C(C)CC)O1
InChIInChI=1S/C22H28O8/c1-6-11(2)22(26)21(5)18-15(28-19(21)25)7-13(10-27-12(3)23)14-8-17(24)20(4,29-14)9-16(18)30-22/h7-8,11,15-16,18,26H,6,9-10H2,1-5H3/b13-7-/t11?,15-,16+,18+,20-,21-,22-/m1/s1
InChIKeyUNFGCPCUYMXWDG-OOQPEQBFSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1S,3R,7Z,9R,12S,13R,15R)-13-Butan-2-yl-13-hydroxy-3,12-dimethyl-4,11-dioxo-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-dien-7-yl]methyl acetate (CHEBI:182873) is a furofuran (CHEBI:47790)
IUPAC Name 
[(1S,3R,7Z,9R,12S,13R,15R)-13-butan-2-yl-13-hydroxy-3,12-dimethyl-4,11-dioxo-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-dien-7-yl]methyl acetate