| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:58 UTC |
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| Update Date | 2025-03-25 00:54:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203447 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O9 |
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| Molecular Mass | 352.0794 |
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| SMILES | O=C(O)CC(=O)CCC(COC(=O)c1ccccc1C(=O)O)C(=O)O |
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| InChI Key | RWNPVSBNOZJKCN-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 | carboxylic acids and derivatives |
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| Subclass | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acid estersbenzoic acidsbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acid estershydrocarbon derivativesorganic oxides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativestetracarboxylic acid or derivativesbenzoate esterbeta-keto acidketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidcarboxylic acid esterhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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