| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:18 UTC |
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| Update Date | 2025-03-21 17:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018212 |
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| Frequency | 228.2 |
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| Structure | |
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| Chemical Formula | C15H17NO7 |
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| Molecular Mass | 323.1005 |
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| SMILES | COc1cc(C=CC(=O)NC(CCC(=O)O)C(=O)O)ccc1O |
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| InChI Key | XMFRFAAZEIHYDW-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherhydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidglutamic acid or derivativescarboxamide groupmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisoledicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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