EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199210 - Tryptoquialanine B

ChEBI IDCHEBI:199210
ChEBI NameTryptoquialanine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H24N4O7
Net Charge0
Average Mass504.499
Monoisotopic Mass504.16450
SMILESCC(=O)O[C@@H](C)c1nc2ccccc2c(=O)n1[C@@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)[C@H](C)N(O)[C@H]12
InChIInChI=1S/C26H24N4O7/c1-13-22(32)29-19-11-7-5-9-17(19)26(25(29)30(13)35)12-20(24(34)37-26)28-21(14(2)36-15(3)31)27-18-10-6-4-8-16(18)23(28)33/h4-11,13-14,20,25,35H,12H2,1-3H3/t13-,14-,20+,25-,26-/m0/s1
InChIKeyUNRJSEBGHKFHQK-NHYRABQJSA-N
Species of MetaboliteComponentSourceComments
Penicillium digitatum (ncbitaxon:36651) - PubMed (12381117)
ChEBI Ontology
Outgoing Relation(s)
Tryptoquialanine B (CHEBI:199210) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[(1S)-1-[3-[(2S,3'R,3aS,4S)-3-hydroxy-2-methyl-1,2'-dioxospiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]ethyl] acetate
Manual XrefsDatabases
9224571ChemSpider