CHEBI:217935 - Stereumamide D

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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 D
ChEBI ID CHEBI:217935
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H27N2O4
Net Charge +1
Average Mass 431.511
Monoisotopic Mass 431.19653
InChI InChI=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
InChIKey JSCKUGMZWQEKEK-HLTVDCFTSA-O
SMILES O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)CC=3C4=C(C=CC=C4)NC3)C(O)(C)C5C1=CC(C)(C)C5
Metabolite of Species Details
Stereum (NCBI:txid5644) See: PubMed
ChEBI Ontology
Outgoing 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