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CHEBI:146147 - (1S,8R,14S)-6,9-dioxo-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,6,10,12(19)-tetraen-17-ium-7-ide

ChEBI IDCHEBI:146147
ChEBI Name(1S,8R,14S)-6,9-dioxo-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,6,10,12(19)-tetraen-17-ium-7-ide
Stars
ASCII Name(1S,8R,14S)-6,9-dioxo-15,17-diazatetracyclo[12.2.2.1(3,7).1(8,12)]icosa-3(20),4,6,10,12(19)-tetraen-17-ium-7-ide
DefinitionThis is the major tautomer at pH 7.3 of compound 13 of pmid:27690412
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H20N2O2
Net Charge0
Average Mass296.370
Monoisotopic Mass296.15248
SMILES[H][C@]12C=C(C=CC1=O)C[C@H]1C[NH2+][C@H](CN1)Cc1ccc(=O)[c-]2c1
InChIInChI=1S/C18H19N2O2/c21-17-3-1-11-5-13-9-20-14(10-19-13)6-12-2-4-18(22)16(8-12)15(17)7-11/h1-4,7-8,13-15,19-20H,5-6,9-10H2/q-1/p+1/t13-,14-,15+/m0/s1
InChIKeyXOJWAWNEMDLQSJ-SOUVJXGZSA-O
ChEBI Ontology
Outgoing Relation(s)
(1S,8R,14S)-6,9-dioxo-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,6,10,12(19)-tetraen-17-ium-7-ide (CHEBI:146147) has functional parent herquline A(1+) (CHEBI:145880)
(1S,8R,14S)-6,9-dioxo-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,6,10,12(19)-tetraen-17-ium-7-ide (CHEBI:146147) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
(1S,8R,14S)-6,9-dioxo-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,6,10,12(19)-tetraen-7-ideUniProt
Citations