| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:54 UTC |
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| Update Date | 2025-03-25 00:57:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224249 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO6 |
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| Molecular Mass | 265.0586 |
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| SMILES | O=C(CCC(=O)C(=O)O)Nc1ccccc1C(=O)O |
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| InChI Key | YADYFNMQQLBWMF-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 | 1-carboxy-2-haloaromatic compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesanilidesbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidebenzoyln-arylamidealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amideacylaminobenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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