| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:04 UTC |
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| Update Date | 2025-03-21 18:04:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050654 |
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| Frequency | 64.7 |
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| Structure | |
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| Chemical Formula | C10H8O5 |
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| Molecular Mass | 208.0372 |
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| SMILES | O=C(O)C(=O)Cc1ccccc1C(=O)O |
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| InChI Key | UWMSNQZIYPJYBU-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 | 1-carboxy-2-haloaromatic compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenylpropanoic acids |
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| Substituents | carbonyl groupcarboxylic acidphenylpyruvate3-phenylpropanoic-acidbenzoylbenzoic acid or derivativesalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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