| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:18 UTC |
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| Update Date | 2025-03-25 00:55:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213621 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO6 |
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| Molecular Mass | 229.0586 |
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| SMILES | COC(=O)C1=C(C(=O)O)NC(C(=O)O)CC1 |
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| InChI Key | KMQARCJWVLXKOD-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 acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesenoate estershydrocarbon derivativesmethyl estersorganic oxidesorganopnictogen compoundstetrahydropyridinestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesalpha,beta-unsaturated carboxylic esterorganic oxidemethyl esteraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundenoate estervinylogous amidesecondary aliphatic amineazacycletetrahydropyridinesecondary amineorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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