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CHEBI:209033 - Aniquinazoline B

ChEBI IDCHEBI:209033
ChEBI NameAniquinazoline B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N5O4
Net Charge0
Average Mass489.576
Monoisotopic Mass489.23760
SMILESCC(C)[C@@H]1N[C@@H](C(C)(O)C[C@@H]2C(=O)N[C@H](C)c3nc4ccccc4c(=O)n32)N(c2ccccc2)C1=O
InChIInChI=1S/C27H31N5O4/c1-15(2)21-25(35)31(17-10-6-5-7-11-17)26(30-21)27(4,36)14-20-23(33)28-16(3)22-29-19-13-9-8-12-18(19)24(34)32(20)22/h5-13,15-16,20-21,26,30,36H,14H2,1-4H3,(H,28,33)/t16-,20-,21+,26-,27?/m1/s1
InChIKeyPZCYVUJYVOAEFM-MJKJVAEFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (23880937)
ChEBI Ontology
Outgoing Relation(s)
Aniquinazoline B (CHEBI:209033) is a imidazolidines (CHEBI:38261)
IUPAC Name 
(1R,4R)-4-[2-hydroxy-2-[(2R,4S)-5-oxo-1-phenyl-4-propan-2-ylimidazolidin-2-yl]propyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
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