| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:54 UTC |
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| Update Date | 2025-03-21 18:00:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028767 |
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| Frequency | 130.6 |
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| Structure | |
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| Chemical Formula | C15H16O9 |
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| Molecular Mass | 340.0794 |
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| SMILES | O=C(O)c1ccccc1C(=O)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | VKQKNPCSSPEVSM-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 | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha hydroxy acids and derivativesbenzoic acid estersbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscyclohexanolshydrocarbon derivativesorganic oxidestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidbenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidcyclohexanolbenzoic acid or derivativeshydroxy acidaromatic homomonocyclic compoundtertiary alcoholcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidquinic acid |
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