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CHEBI:202674 - Macrocidin A

ChEBI IDCHEBI:202674
ChEBI NameMacrocidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23NO5
Net Charge0
Average Mass357.406
Monoisotopic Mass357.15762
SMILESC[C@@H]1CCC[C@@H]2O[C@H]2COc2ccc(cc2)C[C@@H]2NC(=O)/C(=C/1O)C2=O
InChIInChI=1S/C20H23NO5/c1-11-3-2-4-15-16(26-15)10-25-13-7-5-12(6-8-13)9-14-19(23)17(18(11)22)20(24)21-14/h5-8,11,14-16,22H,2-4,9-10H2,1H3,(H,21,24)/b18-17-/t11-,14+,15+,16+/m1/s1
InChIKeyMMJLIEREEJXFMU-UUAKWSOVSA-N
Species of MetaboliteComponentSourceComments
Didymella macrostoma (ncbitaxon:73002) - PubMed (14695796)
ChEBI Ontology
Outgoing Relation(s)
Macrocidin A (CHEBI:202674) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(3S,6Z,8R,12S,14S)-7-hydroxy-8-methyl-13,16-dioxa-4-azatetracyclo[15.2.2.13,6.012,14]docosa-1(20),6,17(21),18-tetraene-5,22-dione
Manual XrefsDatabases
28287147ChemSpider