| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:18 UTC |
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| Update Date | 2025-03-21 18:39:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125356 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C15H17NO8 |
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| Molecular Mass | 339.0954 |
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| SMILES | NC(CCC(COC(=O)c1ccccc1C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | RRZMRBKWEVNQDG-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha amino acidsbenzoic acid estersbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdelta amino acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzoate esteralpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivatives1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivativestetracarboxylic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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