| 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 | DMID02160480 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO5 |
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| Molecular Mass | 223.0481 |
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| SMILES | Nc1ccc(C(=O)O)cc1CC(=O)C(=O)O |
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| InChI Key | IOFWYGSNTBUBRI-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsbenzoic acidsbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsprimary amines |
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| Substituents | carbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidbenzoylalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundbenzoic acidphenylpyruvatebenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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