EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227188 - Dihydrocarneamide A

ChEBI IDCHEBI:227188
ChEBI NameDihydrocarneamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31N3O3
Net Charge0
Average Mass433.552
Monoisotopic Mass433.23654
SMILESC=CC(C)(C)c1nc2cc3c(cc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O)C=CC(C)(C)O3
InChIInChI=1S/C26H31N3O3/c1-6-25(2,3)22-17(13-19-24(31)29-11-7-8-20(29)23(30)28-19)16-12-15-9-10-26(4,5)32-21(15)14-18(16)27-22/h6,9-10,12,14,19-20,27H,1,7-8,11,13H2,2-5H3,(H,28,30)/t19-,20-/m0/s1
InChIKeyGKEMOLJYROWHLA-PMACEKPBSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - DOI (10.1016/j.cclet.2014.11.020)
ChEBI Ontology
Outgoing Relation(s)
Dihydrocarneamide A (CHEBI:227188) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S,8aS)-3-[[2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-]indol-6-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Manual XrefsDatabases
40256726ChemSpider