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CHEBI:217929 - Stereumamide C

ChEBI IDCHEBI:217929
ChEBI NameStereumamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26NO4
Net Charge+1
Average Mass344.431
Monoisotopic Mass344.18563
SMILESCC(C)[C@@H](C(=O)O)[n+]1ccc2c(c1)C(=O)C1=CC(C)(C)CC1C2(C)O
InChIInChI=1S/C20H25NO4/c1-11(2)16(18(23)24)21-7-6-14-13(10-21)17(22)12-8-19(3,4)9-15(12)20(14,5)25/h6-8,10-11,15-16,25H,9H2,1-5H3/p+1/t15?,16-,20?/m0/s1
InChIKeyXWMUOGAMPYIGPG-NGEICVOHSA-O
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (29792906)
ChEBI Ontology
Outgoing Relation(s)
Stereumamide C (CHEBI:217929) has functional parent α-amino acid (CHEBI:33704)
Stereumamide C (CHEBI:217929) is a organonitrogen compound (CHEBI:35352)
Stereumamide C (CHEBI:217929) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S)-2-(5-hydroxy-5,7,7-trimethyl-9-oxo-5a,6-dihydrocyclopenta[g]isoquinolin-2-ium-2-yl)-3-methylbutanoic acid