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CHEBI:207402 - Tryptoquivaline U

ChEBI IDCHEBI:207402
ChEBI NameTryptoquivaline U
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20N4O4
Net Charge0
Average Mass416.437
Monoisotopic Mass416.14846
SMILESCC1(C)N[C@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H](n2cnc3ccccc3c2=O)C(=O)O1
InChIInChI=1S/C23H20N4O4/c1-22(2)21(30)27-16-10-6-4-8-14(16)23(20(27)25-22)11-17(19(29)31-23)26-12-24-15-9-5-3-7-13(15)18(26)28/h3-10,12,17,20,25H,11H2,1-2H3/t17-,20+,23+/m1/s1
InChIKeyGQSYDJOTXRRVIS-MONBJTKQSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (26082989)
ChEBI Ontology
Outgoing Relation(s)
Tryptoquivaline U (CHEBI:207402) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(3'R,3aS,4S)-2,2-dimethyl-3'-(4-oxoquinazolin-3-yl)spiro[3,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione
Manual XrefsDatabases
78437889ChemSpider