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CHEBI:225379 - Aniquinazoline C

ChEBI IDCHEBI:225379
ChEBI NameAniquinazoline C
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SubmitterMetaboLights
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FormulaC27H31N5O5
Net Charge0
Average Mass505.575
Monoisotopic Mass505.23252
SMILESCC(C)[C@@H]1N[C@@H](C(C)(O)C[C@@H]2C(=O)N[C@@](C)(O)c3nc4ccccc4c(=O)n32)N(c2ccccc2)C1=O
InChIInChI=1S/C27H31N5O5/c1-15(2)20-23(35)31(16-10-6-5-7-11-16)24(29-20)26(3,36)14-19-21(33)30-27(4,37)25-28-18-13-9-8-12-17(18)22(34)32(19)25/h5-13,15,19-20,24,29,36-37H,14H2,1-4H3,(H,30,33)/t19-,20+,24-,26?,27+/m1/s1
InChIKeyALKYEXCSBFPRPV-ALXWUKCCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (23880937)
ChEBI Ontology
Outgoing Relation(s)
Aniquinazoline C (CHEBI:225379) is a imidazolidines (CHEBI:38261)
IUPAC Name 
(1S,4R)-1-hydroxy-4-[2-hydroxy-2-[(2R,4S)-5-oxo-1-phenyl-4-propan-2-ylimidazolidin-2-yl]propyl]-1-methyl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
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78441428ChemSpider