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CHEBI:200064 - Tryptoquivaline Q

ChEBI IDCHEBI:200064
ChEBI NameTryptoquivaline Q
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22N4O5
Net Charge0
Average Mass434.452
Monoisotopic Mass434.15902
SMILESCC1(C)N[C@@H]2N(C1=O)c1ccccc1[C@@]2(O)CC(C(=O)O)n1cnc2ccccc2c1=O
InChIInChI=1S/C23H22N4O5/c1-22(2)21(31)27-16-10-6-4-8-14(16)23(32,20(27)25-22)11-17(19(29)30)26-12-24-15-9-5-3-7-13(15)18(26)28/h3-10,12,17,20,25,32H,11H2,1-2H3,(H,29,30)/t17?,20-,23+/m1/s1
InChIKeyBMFPATPGMGPSGR-KLXHUVPASA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (23088499)
ChEBI Ontology
Outgoing Relation(s)
Tryptoquivaline Q (CHEBI:200064) is a quinazolines (CHEBI:38530)
IUPAC Name 
3-[(3aR,4S)-4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl]-2-(4-oxoquinazolin-3-yl)propanoic acid
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78440806ChemSpider