EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210029 - Tryptoquivaline H

ChEBI IDCHEBI:210029
ChEBI NameTryptoquivaline H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18N4O5
Net Charge0
Average Mass418.409
Monoisotopic Mass418.12772
SMILESC[C@H]1C(=O)N2c3ccccc3[C@@]3(C[C@@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@@H]2N1O
InChIInChI=1S/C22H18N4O5/c1-12-18(27)25-16-9-5-3-7-14(16)22(21(25)26(12)30)10-17(20(29)31-22)24-11-23-15-8-4-2-6-13(15)19(24)28/h2-9,11-12,17,21,30H,10H2,1H3/t12-,17+,21-,22-/m0/s1
InChIKeyLSEZQEFBFFRCNW-TYTLQBBQSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - DOI (10.1016/j.tet.2012.02.024)
ChEBI Ontology
Outgoing Relation(s)
Tryptoquivaline H (CHEBI:210029) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(2S,3'R,3aS,4S)-3-hydroxy-2-methyl-3'-(4-oxoquinazolin-3-yl)spiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione
Manual XrefsDatabases
158572ChemSpider