CHEBI:205510 - Bioxalomycin beta2

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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 beta2
ChEBI ID CHEBI:205510
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25N3O5
Net Charge 0
Average Mass 399.447
Monoisotopic Mass 399.17942
InChI InChI=1S/C21H25N3O5/c1-8-17(25)13-12(18(26)19(8)27-3)11-7-29-21-10-6-9-14(22(10)2)16(24(11)21)15(13)23-4-5-28-20(9)23/h9-11,14-16,20-21H,4-7H2,1-3H3/t9-,10-,11?,14?,15?,16?,20?,21?/m0/s1
InChIKey XJCIPQDWRFBBCW-NCLBLWNUSA-N
SMILES O=C1C(OC)=C(C(=O)C2=C1C3N4C([C@@H]5C[C@@H]6C7N(C2C4C6N5C)CCO7)OC3)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Bioxalomycin beta2 (CHEBI:205510) is a isoquinolines (CHEBI:24922)
IUPAC Name
(19S,21S)-9-methoxy-10,22-dimethyl-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