| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:12 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162880 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17NO4 |
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| Molecular Mass | 311.1158 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)NCC(=O)OCc1ccccc1 |
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| InChI Key | YYUAUWRVYFGBDZ-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid estersalpha amino acidsbenzyloxycarbonylscarbonyl compoundscarboxylic acid estershydrocarbon derivativeshydroxycinnamic acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | benzyloxycarbonylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidhydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid estercarboxamide groupn-acylglycinehydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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