EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210982 - Pyranamide A

ChEBI IDCHEBI:210982
ChEBI NamePyranamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27N3O5
Net Charge0
Average Mass425.485
Monoisotopic Mass425.19507
SMILESCC[C@H](C)C1=C2NC(=O)[C@]3(CC=C[C@@H](OC)O3)C(=O)N2[C@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C23H27N3O5/c1-4-14(2)18-19-25-21(28)23(12-8-11-17(30-3)31-23)22(29)26(19)16(20(27)24-18)13-15-9-6-5-7-10-15/h5-11,14,16-17H,4,12-13H2,1-3H3,(H,24,27)(H,25,28)/t14-,16+,17-,23+/m0/s1
InChIKeyQUZPSHSECUXMNA-PCQCASEHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1039/c8qo01147h)
ChEBI Ontology
Outgoing Relation(s)
Pyranamide A (CHEBI:210982) is a pyrimidone (CHEBI:38337)
IUPAC Name 
(2S,6R,6'R)-6'-benzyl-9'-[(2S)-butan-2-yl]-2-methoxyspiro[2,5-dihydropyran-6,3'-6,8-dihydro-1H-pyrazino[1,2-a]pyrimidine]-2',4',7'-trione
Manual XrefsDatabases
71360606ChemSpider