CHEBI:202560 - Deoxynortryptoquivalone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Deoxynortryptoquivalone
ChEBI ID CHEBI:202560
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:534594
Download Molfile XML SDF
Formula C26H24N4O5
Net Charge 0
Average Mass 472.501
Monoisotopic Mass 472.17467
InChI InChI=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
InChIKey FDESYNZCSDCHOM-QZDFQMNHSA-N
SMILES O=C1N(C(=NC2=C1C=CC=C2)C(=O)C(C)C)[C@@H]3C(=O)O[C@]4(C3)C5=C(C=CC=C5)N6[C@@H]4NC(C)C6=O
Metabolite of Species Details
Aspergillus clavatus (NCBI:txid5057) See: PubMed
ChEBI Ontology
Outgoing 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