CHEBI:203223 - Bioxalomycin beta1

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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 Bioxalomycin beta1
ChEBI ID CHEBI:203223
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H23N3O5
Net Charge 0
Average Mass 385.420
Monoisotopic Mass 385.16377
InChI InChI=1S/C20H23N3O5/c1-7-16(24)12-11(17(25)18(7)26-2)10-6-28-20-9-5-8-13(21-9)15(23(10)20)14(12)22-3-4-27-19(8)22/h8-10,13-15,19-21H,3-6H2,1-2H3/t8-,9-,10?,13?,14?,15?,19?,20?/m0/s1
InChIKey SUTMOLYEXFFQAC-LZOVXBFSSA-N
SMILES O=C1C(OC)=C(C(=O)C2=C1C3N4C([C@@H]5C[C@@H]6C7N(C2C4C6N5)CCO7)OC3)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Bioxalomycin beta1 (CHEBI:203223) is a isoquinolines (CHEBI:24922)
IUPAC Name
(19S,21S)-9-methoxy-10-methyl-4,17-dioxa-2,14,22-triazaheptacyclo[11.10.0.02,6.03,21.07,12.014,18.019,23]tricosa-7(12),9-diene-8,11-dione