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CHEBI:224459 - Atranone R

ChEBI IDCHEBI:224459
ChEBI NameAtranone R
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O7
Net Charge0
Average Mass450.572
Monoisotopic Mass450.26175
SMILESCOC(=O)[C@H]1[C@H](C)O[C@@]2(O)[C@H](C)CC[C@@]3(C)OC(=O)C=C(C(C)C)[C@@H]3C[C@H](O)/C(C)=C/[C@H]12
InChIInChI=1S/C25H38O7/c1-13(2)17-11-21(27)32-24(6)9-8-15(4)25(29)19(10-14(3)20(26)12-18(17)24)22(16(5)31-25)23(28)30-7/h10-11,13,15-16,18-20,22,26,29H,8-9,12H2,1-7H3/b14-10+/t15-,16+,18+,19-,20+,22+,24-,25+/m1/s1
InChIKeyMOAZJFYORXTOMH-CDWSGVRCSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (31265296)
ChEBI Ontology
Outgoing Relation(s)
Atranone R (CHEBI:224459) is a pyranone (CHEBI:37963)
IUPAC Name 
methyl (1R,4R,5S,7S,8R,9R,10E,12S,14S)-5,12-dihydroxy-1,4,7,11-tetramethyl-17-oxo-15-propan-2-yl-6,18-dioxatricyclo[12.4.0.05,9]octadeca-10,15-diene-8-carboxylate
Manual XrefsDatabases
77089191ChemSpider