| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:32 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221121 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO3 |
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| Molecular Mass | 205.0739 |
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| SMILES | O=C(Oc1ccc(O)cc1)C1CCC=N1 |
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| InChI Key | VXTFSNIETWFHKX-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 | alpha amino acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acid estershydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol estersphenoxy compoundspropargyl-type 1,3-dipolar organic compoundspyrroline 2-carboxylic acids |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundimine1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid esterazacyclepyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundpyrroline 2-carboxylic acidmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundpyrroline carboxylic acidcarboxylic acid esterphenol esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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