CHEBI:226994 - (10Z)-14-butan-2-yl-20-methoxy-2,8,12,15-tetrazatricyclo[15.4.0.04,8]henicosa-1(17),10,18,20-tetraene-3,9,13,16-tetrone

ChEBI IDCHEBI:226994
ChEBI Name(10Z)-14-butan-2-yl-20-methoxy-2,8,12,15-tetrazatricyclo[15.4.0.04,8]henicosa-1(17),10,18,20-tetraene-3,9,13,16-tetrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28N4O5
Net Charge0
Average Mass428.489
Monoisotopic Mass428.20597
SMILESCCC(C)C1NC(=O)c2ccc(OC)cc2NC(=O)C2CCCN2C(=O)/C=C\NC1=O
InChIInChI=1S/C22H28N4O5/c1-4-13(2)19-22(30)23-10-9-18(27)26-11-5-6-17(26)21(29)24-16-12-14(31-3)7-8-15(16)20(28)25-19/h7-10,12-13,17,19H,4-6,11H2,1-3H3,(H,23,30)(H,24,29)(H,25,28)/b10-9-
InChIKeyOGWBEHRFSAQZJP-KTKRTIGZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavipes (ncbitaxon:41900) - PubMed (24942057)
ChEBI Ontology
Outgoing Relation(s)
(10Z)-14-butan-2-yl-20-methoxy-2,8,12,15-tetrazatricyclo[15.4.0.04,8]henicosa-1(17),10,18,20-tetraene-3,9,13,16-tetrone (CHEBI:226994) is a azamacrocycle (CHEBI:52898)
(10Z)-14-butan-2-yl-20-methoxy-2,8,12,15-tetrazatricyclo[15.4.0.04,8]henicosa-1(17),10,18,20-tetraene-3,9,13,16-tetrone (CHEBI:226994) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(10Z)-14-butan-2-yl-20-methoxy-2,8,12,15-tetrazatricyclo[15.4.0.04,8]henicosa-1(17),10,18,20-tetraene-3,9,13,16-tetrone
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34981208ChemSpider