CHEBI:217929 - Stereumamide C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Stereumamide C
ChEBI ID CHEBI:217929
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26NO4
Net Charge +1
Average Mass 344.430
Monoisotopic Mass 344.18563
InChI InChI=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
InChIKey XWMUOGAMPYIGPG-NGEICVOHSA-O
SMILES O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)C(C)C)C(O)(C)C3C1=CC(C)(C)C3
Metabolite of Species Details
Stereum (NCBI:txid5644) See: PubMed
ChEBI Ontology
Outgoing 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