EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205510 - Bioxalomycin beta2

ChEBI IDCHEBI:205510
ChEBI NameBioxalomycin beta2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O5
Net Charge0
Average Mass399.447
Monoisotopic Mass399.17942
SMILESCOC1=C(C)C(=O)C2=C(C1=O)C1COC3[C@@H]4C[C@@H]5C6OCCN6C2C(C5N4C)N13
InChIInChI=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
InChIKeyXJCIPQDWRFBBCW-NCLBLWNUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7844035)
ChEBI Ontology
Outgoing Relation(s)
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