| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:12 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183505 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O9 |
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| Molecular Mass | 328.0794 |
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| SMILES | O=C(O)c1ccccc1C(=O)OCC(C(=O)O)C(O)C(O)CO |
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| InChI Key | HDMVAJWCJWEPLW-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholcarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate esterhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidprimary alcoholorganooxygen compound |
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