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CHEBI:217935 - Stereumamide D

ChEBI IDCHEBI:217935
ChEBI NameStereumamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H27N2O4
Net Charge+1
Average Mass431.512
Monoisotopic Mass431.19653
SMILESCC1(C)C=C2C(=O)c3c[n+]([C@@H](Cc4cnc5ccccc45)C(=O)O)ccc3C(C)(O)C2C1
InChIInChI=1S/C26H26N2O4/c1-25(2)11-17-20(12-25)26(3,32)19-8-9-28(14-18(19)23(17)29)22(24(30)31)10-15-13-27-21-7-5-4-6-16(15)21/h4-9,11,13-14,20,22,27,32H,10,12H2,1-3H3/p+1/t20?,22-,26?/m0/s1
InChIKeyJSCKUGMZWQEKEK-HLTVDCFTSA-O
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (29792906)
ChEBI Ontology
Outgoing Relation(s)
Stereumamide D (CHEBI:217935) has functional parent α-amino acid (CHEBI:33704)
Stereumamide D (CHEBI:217935) is a organonitrogen compound (CHEBI:35352)
Stereumamide D (CHEBI:217935) 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-(1H-indol-3-yl)propanoic acid