CHEBI:217918 - Stereumamide A

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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 A
ChEBI ID CHEBI:217918
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24NO5
Net Charge +1
Average Mass 346.402
Monoisotopic Mass 346.16490
InChI InChI=1S/C19H23NO5/c1-10(21)15(17(23)24)20-6-5-13-12(9-20)16(22)11-7-18(2,3)8-14(11)19(13,4)25/h5-7,9-10,14-15,21,25H,8H2,1-4H3/p+1/t10-,14?,15+,19?/m1/s1
InChIKey CXLHNFHPUCADGO-UZJZFDGLSA-O
SMILES O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)[C@H](O)C)C(O)(C)C3C1=CC(C)(C)C3
Metabolite of Species Details
Stereum (NCBI:txid5644) See: PubMed
ChEBI Ontology
Outgoing Stereumamide A (CHEBI:217918) has functional parent α-amino acid (CHEBI:33704)
Stereumamide A (CHEBI:217918) is a organonitrogen compound (CHEBI:35352)
Stereumamide A (CHEBI:217918) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2S,3R)-3-hydroxy-2-(5-hydroxy-5,7,7-trimethyl-9-oxo-5a,6-dihydrocyclopenta[g]isoquinolin-2-ium-2-yl)butanoic acid