Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:51:22 UTC |
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Update Date | 2025-03-25 00:50:33 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02181640 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C13H15NO6 |
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Molecular Mass | 281.0899 |
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SMILES | O=C(O)CCCOC(=O)c1ccccc1NC(=O)CO |
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InChI Key | BURUXOCAHOZTCO-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 | alcohols and polyolsanilidesbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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Substituents | carbonyl groupcarboxylic acidbenzoyln-arylamidebenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amideacylaminobenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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