| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:08 UTC |
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| Update Date | 2025-03-21 18:06:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064852 |
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| Frequency | 47.3 |
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| Structure | |
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| Chemical Formula | C11H11NO6 |
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| Molecular Mass | 253.0586 |
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| SMILES | Nc1ccccc1C(=O)OC(CC(=O)O)C(=O)O |
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| InChI Key | OVLPHMSXXYBTKJ-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 aminestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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