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CHEBI:210523 - Macrocidin B

ChEBI IDCHEBI:210523
ChEBI NameMacrocidin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23NO6
Net Charge0
Average Mass373.405
Monoisotopic Mass373.15254
SMILESC[C@H]1/C(O)=C2/C(=O)N[C@@H](Cc3ccc(cc3)OC[C@@H]3O[C@H]3CCC1O)C2=O
InChIInChI=1S/C20H23NO6/c1-10-14(22)6-7-15-16(27-15)9-26-12-4-2-11(3-5-12)8-13-19(24)17(18(10)23)20(25)21-13/h2-5,10,13-16,22-23H,6-9H2,1H3,(H,21,25)/b18-17-/t10-,13+,14?,15+,16+/m1/s1
InChIKeyVTJGYKOVEXOBKN-VAQVMYBHSA-N
Species of MetaboliteComponentSourceComments
Didymella macrostoma (ncbitaxon:73002) - PubMed (14695796)
ChEBI Ontology
Outgoing Relation(s)
Macrocidin B (CHEBI:210523) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(3S,6Z,8R,12S,14S)-7,9-dihydroxy-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
78442627ChemSpider