| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:08 UTC |
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| Update Date | 2025-03-25 00:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160483 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO7 |
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| Molecular Mass | 311.1005 |
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| SMILES | Nc1ccc(C(=O)OCC(O)(CCC(=O)O)CC(=O)O)cc1 |
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| InChI Key | OVQHVBYZDJLTRZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholaromatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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