| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:10 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220246 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21NO9 |
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| Molecular Mass | 383.1216 |
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| SMILES | COc1cccc(C(=O)NCC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)c1 |
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| InChI Key | ZQAKYQRWWDIEQK-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 | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acid estersalpha amino acidsalpha hydroxy acids and derivativesanisolesbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsquinic acids and derivativessecondary carboxylic acid amidestertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidbenzoylalkyl aryl etherbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholalpha-amino acid esterhippuric acid or derivativescyclohexanolbenzoic acid or derivativescyclitol or derivativeshydroxy acidcyclic alcoholcarboxamide groupmethoxybenzenen-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidetertiary alcoholorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundquinic acid |
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