| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:33 UTC |
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| Update Date | 2025-03-25 01:00:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243691 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22N2O9 |
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| Molecular Mass | 398.1325 |
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| SMILES | CC(=O)NC1C(C(=O)O)OC(OC(=O)C(N)Cc2ccc(O)cc2)C(O)C1O |
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| InChI Key | WXZPNLCCWJDFLE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha-amino acyl ester of carbohydrates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsacetalsacetamidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylalanine and derivativespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestyrosine and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidepyran carboxylic acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundacetamideamphetamine or derivatives1,2-diolalcoholpyran carboxylic acid or derivativestyrosine or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidefatty acid esterphenylalanine or derivativesorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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