CHEBI:213176 - Cyanogramide B

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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 Cyanogramide B
ChEBI ID CHEBI:213176
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H21N3O3
Net Charge 0
Average Mass 387.439
Monoisotopic Mass 387.15829
InChI InChI=1S/C23H21N3O3/c1-23(29)25(13-12-15-8-4-3-5-9-15)21(27)19-14-17-16-10-6-7-11-18(16)24(2)20(17)22(28)26(19)23/h3-11,14,29H,12-13H2,1-2H3/t23-/m0/s1
InChIKey BBYUAJFKLXJSQH-QHCPKHFHSA-N
SMILES O=C1N2C(C(=O)N([C@@]2(O)C)CCC3=CC=CC=C3)=CC4=C1N(C=5C=CC=CC45)C
Metabolite of Species Details
Actinoalloteichus (NCBI:txid65496) See: PubMed
ChEBI Ontology
Outgoing Cyanogramide B (CHEBI:213176) is a β-carbolines (CHEBI:60834)
IUPAC Name
12-hydroxy-8,12-dimethyl-13-(2-phenylethyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaene-10,14-dione
Manual Xref Database
88301854 ChemSpider
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