| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:50 UTC |
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| Update Date | 2025-03-21 18:38:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119613 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C12H13NO6 |
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| Molecular Mass | 267.0743 |
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| SMILES | O=C(O)CCCC(=O)Nc1ccc(O)c(C(=O)O)c1 |
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| InChI Key | XJGGZWRWBDSILI-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 compounds1-hydroxy-2-unsubstituted benzenoidsanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssalicylic acidssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidebenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidesalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacylaminobenzoic acid or derivativescarboxamide grouphydroxybenzoic acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidevinylogous acidorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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