| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:05 UTC |
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| Update Date | 2025-03-25 00:50:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183258 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO7 |
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| Molecular Mass | 335.1005 |
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| SMILES | O=C(OC1CC(O)(C(=O)O)CC(O)C1O)c1cc2ccccc2[nH]1 |
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| InChI Key | MNFDKOMUMCIULX-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 heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolecarboxylic acids and derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-hydroxy acidcarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundindolecarboxylic acid derivativeazacycleheteroaromatic compoundcyclohexanolindole or derivativeshydroxy acidtertiary alcoholpyrrolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundquinic acid |
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