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CHEBI:227072 - 7-oxobrefeldin A

ChEBI IDCHEBI:227072
ChEBI Name7-oxobrefeldin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESC[C@H]1CCC/C=C/[C@@H]2CC(=O)C[C@H]2[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C16H22O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-12,14-15,18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,14+,15+/m0/s1
InChIKeyIKUWMGOXYQGWPC-TWAINWRDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1021/ja00399a086)
ChEBI Ontology
Outgoing Relation(s)
7-oxobrefeldin A (CHEBI:227072) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2R,3E,7S,11E,13S)-2-hydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-5,15-dione
Manual XrefsDatabases
4945311ChemSpider