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CHEBI:217924 - Stereumamide B

ChEBI IDCHEBI:217924
ChEBI NameStereumamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28NO4
Net Charge+1
Average Mass358.458
Monoisotopic Mass358.20128
SMILESCC[C@H](C)[C@@H](C(=O)O)[n+]1ccc2c(c1)C(=O)C1=CC(C)(C)CC1C2(C)O
InChIInChI=1S/C21H27NO4/c1-6-12(2)17(19(24)25)22-8-7-15-14(11-22)18(23)13-9-20(3,4)10-16(13)21(15,5)26/h7-9,11-12,16-17,26H,6,10H2,1-5H3/p+1/t12-,16?,17-,21?/m0/s1
InChIKeyBJUREWYOAYRXIA-WBLCWRSKSA-O
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (29792906)
ChEBI Ontology
Outgoing Relation(s)
Stereumamide B (CHEBI:217924) has functional parent α-amino acid (CHEBI:33704)
Stereumamide B (CHEBI:217924) is a organonitrogen compound (CHEBI:35352)
Stereumamide B (CHEBI:217924) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S,3S)-2-(5-hydroxy-5,7,7-trimethyl-9-oxo-5a,6-dihydrocyclopenta[g]isoquinolin-2-ium-2-yl)-3-methylpentanoic acid