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CHEBI:217543 - Isochaetominine B

ChEBI IDCHEBI:217543
ChEBI NameIsochaetominine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20N4O4
Net Charge0
Average Mass416.437
Monoisotopic Mass416.14846
SMILESCC[C@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23
InChIInChI=1S/C23H20N4O4/c1-2-16-20(29)27-17-10-6-4-8-14(17)23(31)11-18(21(30)26(16)22(23)27)25-12-24-15-9-5-3-7-13(15)19(25)28/h3-10,12,16,18,22,31H,2,11H2,1H3/t16-,18+,22+,23+/m0/s1
InChIKeyQKNGOIPTCPKCCI-GYVGSTJSSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (25581396)
ChEBI Ontology
Outgoing Relation(s)
Isochaetominine B (CHEBI:217543) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
Manual XrefsDatabases
59005018ChemSpider