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CHEBI:221349 - Atranone F

Default Structure
ChEBI IDCHEBI:221349
ChEBI NameAtranone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O7
Net Charge0
Average Mass432.513
Monoisotopic Mass432.21480
SMILESCC(=O)OC1/C(C)=C\C[C@@H]2C(C(C)C)=CC(=O)O[C@@]2(C)CC/C(C)=C2/OC(=O)C[C@@]21O
InChIInChI=1S/C24H32O7/c1-13(2)17-11-19(26)31-23(6)10-9-15(4)22-24(28,12-20(27)30-22)21(29-16(5)25)14(3)7-8-18(17)23/h7,11,13,18,21,28H,8-10,12H2,1-6H3/b14-7-,22-15+/t18-,21?,23+,24+/m1/s1
InChIKeyJRKKTRKUMGTMCG-BMKBJXAWSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1016/s0031-9422(00)00231-4)
ChEBI Ontology
Outgoing Relation(s)
Atranone F (CHEBI:221349) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(1S,4E,9S,11Z,14R)-9-hydroxy-1,4,11-trimethyl-7,17-dioxo-15-propan-2-yl-6,18-dioxatricyclo[12.4.0.05,9]octadeca-4,11,15-trien-10-yl] acetate
Manual XrefsDatabases
78440414ChemSpider