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CHEBI:200221 - Venezueline B

ChEBI IDCHEBI:200221
ChEBI NameVenezueline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14N2O4
Net Charge0
Average Mass274.276
Monoisotopic Mass274.09536
SMILESO=C1NC2=Nc3cc(CO)ccc3O[C@]23[C@H](O)CC[C@H]13
InChIInChI=1S/C14H14N2O4/c17-6-7-1-3-10-9(5-7)15-13-14(20-10)8(12(19)16-13)2-4-11(14)18/h1,3,5,8,11,17-18H,2,4,6H2,(H,15,16,19)/t8-,11-,14-/m1/s1
InChIKeyYDXKTQRGXVQESR-XPLICSAQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces venezuelae (ncbitaxon:54571) - PubMed (23164710)
ChEBI Ontology
Outgoing Relation(s)
Venezueline B (CHEBI:200221) is a benzoxazine (CHEBI:46969)
IUPAC Name 
(1S,13S,16R)-16-hydroxy-6-(hydroxymethyl)-2-oxa-9,11-diazatetracyclo[8.6.0.01,13.03,8]hexadeca-3(8),4,6,9-tetraen-12-one
Manual XrefsDatabases
29215323ChemSpider