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CHEBI:206086 - Versiquinazoline J

ChEBI IDCHEBI:206086
ChEBI NameVersiquinazoline J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O4
Net Charge0
Average Mass383.448
Monoisotopic Mass383.18451
SMILESC=CC(C)(C)[C@@]12C=C(OC)C(=O)N3[C@@H](C)C(=O)N[C@]31N(OC)c1ccccc12
InChIInChI=1S/C21H25N3O4/c1-7-19(3,4)20-12-16(27-5)18(26)23-13(2)17(25)22-21(20,23)24(28-6)15-11-9-8-10-14(15)20/h7-13H,1H2,2-6H3,(H,22,25)/t13-,20-,21-/m0/s1
InChIKeyLGGAWFXKLUZYBW-ZEWGMFERSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27933898)
ChEBI Ontology
Outgoing Relation(s)
Versiquinazoline J (CHEBI:206086) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(1S,9R,14S)-2,11-dimethoxy-14-methyl-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
Manual XrefsDatabases
60596789ChemSpider