EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207415 - Acremonoxide

ChEBI IDCHEBI:207415
ChEBI NameAcremonoxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O8
Net Charge0
Average Mass334.280
Monoisotopic Mass334.06887
SMILESCOC(=O)[C@@]12O[C@]1(C(=O)c1c(O)cc(C)cc1O)C(=O)C=C[C@@H]2O
InChIInChI=1S/C16H14O8/c1-7-5-8(17)12(9(18)6-7)13(21)15-10(19)3-4-11(20)16(15,24-15)14(22)23-2/h3-6,11,17-18,20H,1-2H3/t11-,15-,16+/m0/s1
InChIKeyXJQOTBVRIBUVNP-KNXALSJPSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - DOI (10.1016/j.tet.2016.01.043)
ChEBI Ontology
Outgoing Relation(s)
Acremonoxide (CHEBI:207415) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl (1S,2S,6S)-6-(2,6-dihydroxy-4-methylbenzoyl)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-ene-1-carboxylate
Manual XrefsDatabases
78437335ChemSpider