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CHEBI:189211 - Alloaureothin

ChEBI IDCHEBI:189211
ChEBI NameAlloaureothin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23NO6
Net Charge0
Average Mass397.427
Monoisotopic Mass397.15254
SMILES[H][C@]1(c2oc(OC)c(C)c(=O)c2C)C/C(=C/C(C)=C\c2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C22H23NO6/c1-13(9-16-5-7-18(8-6-16)23(25)26)10-17-11-19(28-12-17)21-14(2)20(24)15(3)22(27-4)29-21/h5-10,19H,11-12H2,1-4H3/b13-9-,17-10-/t19-/m1/s1
InChIKeyGQKXCBCSVYJUMI-WTEJLRIGSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Streptomycesspecies MM23 (ncbitaxon:1806334) - PubMed (17551211)
ChEBI Ontology
Outgoing Relation(s)
Alloaureothin (CHEBI:189211) is a C-nitro compound (CHEBI:35716)
IUPAC Names 
2-methoxy-3,5-dimethyl-6-[(2R,4Z)-4-[(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one
2-methoxy-3,5-dimethyl-6-[(2R)-4-[2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one
Manual XrefsDatabases
17627960ChemSpider