| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:11 UTC |
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| Update Date | 2025-03-21 18:36:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113190 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C11H12N2O5 |
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| Molecular Mass | 252.0746 |
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| SMILES | Nc1ccccc1C(=O)OC(=O)CC(N)C(=O)O |
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| InChI Key | PMMINRXEVTVRJL-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzoic acids and derivativesbenzoyl derivativesbenzyloxycarbonylscarbonyl compoundscarboxylic acid anhydridescarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivativesvinylogous amides |
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| Substituents | benzyloxycarbonylmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoyltricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidebenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundaspartic acid or derivativescarboxylic acid anhydridehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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