| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:09 UTC |
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| Update Date | 2025-03-21 18:37:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115548 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C14H18O6 |
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| Molecular Mass | 282.1103 |
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| SMILES | O=C(CCC(O)Cc1ccccc1)OC(CO)C(=O)O |
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| InChI Key | FSSAMFPJTFNHMU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | sugar acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterbeta-hydroxy acidorganic oxideglyceric_acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary alcohol |
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