| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:44 UTC |
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| Update Date | 2025-03-25 00:56:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221558 |
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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)CCCCC(=O)Nc1ccc(O)cc1C(=O)O |
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| InChI Key | CBVPZBINJNFAFD-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 benzenoidsamino fatty acidsanilidesbenzoic acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundsdicarboxylic acids and derivativesfatty amideshydrocarbon derivativeshydroxy fatty acidshydroxybenzoic acid derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidfatty amidebenzoyl1-hydroxy-2-unsubstituted benzenoidfatty acidn-arylamidecarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acid1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amideacylaminobenzoic acid or derivativescarboxamide groupamino fatty acidhydroxybenzoic acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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