CHEBI:202674 - Macrocidin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Macrocidin A
ChEBI ID CHEBI:202674
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H23NO5
Net Charge 0
Average Mass 357.406
Monoisotopic Mass 357.15762
InChI InChI=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
InChIKey MMJLIEREEJXFMU-UUAKWSOVSA-N
SMILES O=C1N[C@H]2CC3=CC=C(OC[C@H]4[C@H](CCC[C@H](C(=C1C2=O)O)C)O4)C=C3
Metabolite of Species Details
Didymella macrostoma (NCBI:txid73002) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
28287147 ChemSpider
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