| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:31 UTC |
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| Update Date | 2025-03-25 00:51:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186521 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O4 |
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| Molecular Mass | 224.0797 |
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| SMILES | NCC(OC(=O)c1ccccc1N)C(=O)O |
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| InChI Key | BXJULNIKENUWMC-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylbenzoate esterorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidebenzoic acid or derivativesbeta amino acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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