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CHEBI:189267 - Awajanomycin

ChEBI IDCHEBI:189267
ChEBI NameAwajanomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H27NO5
Net Charge0
Average Mass325.405
Monoisotopic Mass325.18892
SMILES[H][C@@]12OC(=O)[C@@](O)(C(=O)N[C@@H]1C)[C@@H]2/C=C/C(O)CCCCCCC
InChIInChI=1S/C17H27NO5/c1-3-4-5-6-7-8-12(19)9-10-13-14-11(2)18-15(20)17(13,22)16(21)23-14/h9-14,19,22H,3-8H2,1-2H3,(H,18,20)/b10-9+/t11-,12?,13-,14-,17+/m1/s1
InChIKeyXDVNOKOPZHBIMT-MCBMSAGXSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Acremonium (ncbitaxon:159075) - PubMed (16989535)
ChEBI Ontology
Outgoing Relation(s)
Awajanomycin (CHEBI:189267) is a gitoxigenin (CHEBI:38105)
Awajanomycin (CHEBI:189267) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Names 
(1S,4R,5S,8R)-1-hydroxy-8-[(E)-3-hydroxydec-1-enyl]-4-methyl-6-oxa-3-azabicyclo[3.2.1]octane-2,7-dione
(1R,4S,5R,8S)-1-hydroxy-8-[(E,3S)-3-hydroxydec-1-enyl]-4-methyl-6-oxa-3-azabicyclo[3.2.1]octane-2,7-dione
Manual XrefsDatabases
23326642ChemSpider
78436450ChemSpider