| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:35 UTC |
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| Update Date | 2025-03-21 18:39:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126039 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C17H23NO5 |
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| Molecular Mass | 321.1576 |
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| SMILES | Cc1c(O)cc2c(c1C)OC(C)(CCC(=O)NCC(=O)O)CC2 |
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| InChI Key | ABGVFHFMDZIJJV-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsbenzenoidscarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acid1-benzopyranfatty amide1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundchromaneorganoheterocyclic compoundbenzopyrancarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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