| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:16 UTC |
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| Update Date | 2025-03-25 01:00:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240737 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O3 |
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| Molecular Mass | 248.1161 |
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| SMILES | CC(=O)Nc1ccc(N2CCCC2)c(C(=O)O)c1 |
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| InChI Key | QSKBSBHHMTWXMG-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 heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetamidesacetanilidesamino acidsaminobenzoic acids and derivativesaniline and substituted anilinesazacyclic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundsdialkylarylamineshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenylpyrrolidinespyrrolessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acid1-phenylpyrrolidinen-acetylarylaminearomatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoyln-arylamidecarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic aciddialkylarylaminepyrrolidineaminobenzoic acid or derivativestertiary amineorganoheterocyclic compoundacetamidevinylogous amideacylaminobenzoic acid or derivativesazacycleacetanilideaniline or substituted anilinescarboxamide groupanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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