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CHEBI:199988 - Aniquinazoline A

ChEBI IDCHEBI:199988
ChEBI NameAniquinazoline A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29N5O4
Net Charge0
Average Mass487.560
Monoisotopic Mass487.22195
SMILESCC(C)[C@@H]1N[C@@H]([C@]2(C)C[C@@H]3C(=O)N[C@](C)(O2)c2nc4ccccc4c(=O)n23)N(c2ccccc2)C1=O
InChIInChI=1S/C27H29N5O4/c1-15(2)20-23(35)31(16-10-6-5-7-11-16)24(29-20)26(3)14-19-21(33)30-27(4,36-26)25-28-18-13-9-8-12-17(18)22(34)32(19)25/h5-13,15,19-20,24,29H,14H2,1-4H3,(H,30,33)/t19-,20+,24-,26+,27-/m1/s1
InChIKeyYSCMNYAXBOTDDQ-MGYYBZJHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (23880937)
ChEBI Ontology
Outgoing Relation(s)
Aniquinazoline A (CHEBI:199988) is a imidazolidines (CHEBI:38261)
IUPAC Name 
(1R,12R,14S)-12,14-dimethyl-14-[(2R,4S)-5-oxo-1-phenyl-4-propan-2-ylimidazolidin-2-yl]-13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-3,16-dione
Manual XrefsDatabases
78440803ChemSpider