CHEBI:210523 - Macrocidin B

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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 B
ChEBI ID CHEBI:210523
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H23NO6
Net Charge 0
Average Mass 373.405
Monoisotopic Mass 373.15254
InChI InChI=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
InChIKey VTJGYKOVEXOBKN-VAQVMYBHSA-N
SMILES O=C1N[C@H]2CC3=CC=C(OC[C@H]4[C@H](CCC([C@H](C(=C1C2=O)O)C)O)O4)C=C3
Metabolite of Species Details
Didymella macrostoma (NCBI:txid73002) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78442627 ChemSpider
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