| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:25 UTC |
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| Update Date | 2025-03-25 00:45:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149760 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)NC1CCOC1=O |
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| InChI Key | CCIXZFJYFQJTGK-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid estersalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativeshydroxycinnamic acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidhydroxycinnamic acid or derivativeslactonecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid estern-acyl-alpha-amino acidtetrahydrofurancarboxamide groupgamma butyrolactonehydroxycinnamic acidoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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