| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:19 UTC |
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| Update Date | 2025-03-25 00:56:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218242 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O3 |
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| Molecular Mass | 222.1004 |
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| SMILES | CNCC(=O)Nc1ccccc1C(=O)OC |
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| InChI Key | MYWOCYOPMFFWCH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsanilidesbenzoic acid estersbenzoyl derivativescarbonyl compoundsdialkylamineshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupamino acid or derivativesbenzoyln-arylamidebenzoate esteralpha-amino acid or derivativescarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidesecondary aliphatic amineacylaminobenzoic acid or derivativesalpha-amino acid amidesecondary aminecarboxamide groupn-substituted-alpha-amino acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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