| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:32 UTC |
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| Update Date | 2025-03-21 18:41:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135263 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C13H16O7 |
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| Molecular Mass | 284.0896 |
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| SMILES | O=C(Cc1ccccc1)OC(C(=O)O)C(O)C(O)CO |
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| InChI Key | NGACKOLIWLPOEV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary alcoholorganooxygen compound |
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