EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202560 - Deoxynortryptoquivalone

ChEBI IDCHEBI:202560
ChEBI NameDeoxynortryptoquivalone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H24N4O5
Net Charge0
Average Mass472.501
Monoisotopic Mass472.17467
SMILESCC(C)C(=O)c1nc2ccccc2c(=O)n1[C@H]1C[C@@]2(OC1=O)c1ccccc1N1C(=O)C(C)N[C@@H]12
InChIInChI=1S/C26H24N4O5/c1-13(2)20(31)21-28-17-10-6-4-8-15(17)23(33)29(21)19-12-26(35-24(19)34)16-9-5-7-11-18(16)30-22(32)14(3)27-25(26)30/h4-11,13-14,19,25,27H,12H2,1-3H3/t14?,19-,25-,26+/m0/s1
InChIKeyFDESYNZCSDCHOM-QZDFQMNHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus clavatus (ncbitaxon:5057) - PubMed (830860)
ChEBI Ontology
Outgoing Relation(s)
Deoxynortryptoquivalone (CHEBI:202560) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(3'S,3aS,4R)-2-methyl-3'-[2-(2-methylpropanoyl)-4-oxoquinazolin-3-yl]spiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione