EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226504 - Tryptoquivaline O

ChEBI IDCHEBI:226504
ChEBI NameTryptoquivaline O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H18N4O5
Net Charge0
Average Mass430.420
Monoisotopic Mass430.12772
SMILESC[C@H]1C(=O)N2c3ccccc3[C@@]3(C[C@@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@@H]2N1C=O
InChIInChI=1S/C23H18N4O5/c1-13-19(29)27-17-9-5-3-7-15(17)23(22(27)26(13)12-28)10-18(21(31)32-23)25-11-24-16-8-4-2-6-14(16)20(25)30/h2-9,11-13,18,22H,10H2,1H3/t13-,18+,22+,23-/m0/s1
InChIKeyVTWNCGVXAGXDKJ-LJQJNQQPSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - DOI (10.1016/j.tet.2012.02.024)
ChEBI Ontology
Outgoing Relation(s)
Tryptoquivaline O (CHEBI:226504) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(2S,3aR,4S,4'R)-2-methyl-1,5'-dioxo-4'-(4-oxoquinazolin-3-yl)spiro[2,3a-dihydroimidazo[1,2-a]indole-4,2'-oxolane]-3-carbaldehyde
Manual XrefsDatabases
35003378ChemSpider