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CHEBI:226966 - Citrinalin C

ChEBI IDCHEBI:226966
ChEBI NameCitrinalin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31N3O5
Net Charge0
Average Mass465.550
Monoisotopic Mass465.22637
SMILESCC1(C)CC(=O)c2c(ccc3c2NC(=O)[C@]32C[C@@]34CN5CC[C@@H](O)[C@]5(C[C@@H]3C2(C)C)C(=O)N4)O1
InChIInChI=1S/C26H31N3O5/c1-22(2)9-14(30)18-15(34-22)6-5-13-19(18)27-20(32)25(13)11-24-12-29-8-7-17(31)26(29,21(33)28-24)10-16(24)23(25,3)4/h5-6,16-17,31H,7-12H2,1-4H3,(H,27,32)(H,28,33)/t16-,17-,24-,25+,26-/m1/s1
InChIKeyQRWUMHYQZPNJHW-GXWAJFKWSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (24828190)
ChEBI Ontology
Outgoing Relation(s)
Citrinalin C (CHEBI:226966) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(1'S,3S,6'R,7'R,9'R)-6'-hydroxy-7,7,10',10'-tetramethylspiro[1,8-dihydropyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,9,14'-trione
Manual XrefsDatabases
32675057ChemSpider