| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:25 UTC |
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| Update Date | 2025-03-21 18:02:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037187 |
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| Frequency | 94.8 |
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| Structure | |
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| Chemical Formula | C11H10O6 |
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| Molecular Mass | 238.0477 |
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| SMILES | O=C(O)CCC(=O)Oc1ccccc1C(=O)O |
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| InChI Key | CDQXAYVVPNTWLC-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 | acylsalicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesorganic oxidesphenol estersphenoxy compoundstricarboxylic acids and derivatives |
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| Substituents | acylsalicylic acidfatty acylcarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundorganooxygen compound |
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