| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:55 UTC |
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| Update Date | 2025-03-25 00:46:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153279 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O5 |
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| Molecular Mass | 306.1216 |
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| SMILES | COc1ccc2[nH]cc(CC(O)C(=O)NC(C)C(=O)O)c2c1 |
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| InChI Key | XHPQPXUUZHVOLM-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alanine and derivativesalkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethercarbonyl groupethercarboxylic acidindolefatty amidealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolesecondary alcoholalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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