| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:14 UTC |
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| Update Date | 2025-03-21 18:29:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079581 |
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| Frequency | 46.3 |
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| Structure | |
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| Chemical Formula | C12H15NO4 |
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| Molecular Mass | 237.1001 |
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| SMILES | O=C(O)C(O)CN=C(O)CCc1ccccc1 |
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| InChI Key | WACCLNUYNFBFJB-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholcarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidorganic 1,3-dipolar compoundhydroxy acidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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