| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:26 UTC |
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| Update Date | 2025-03-21 18:38:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123354 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C9H11NO3 |
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| Molecular Mass | 181.0739 |
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| SMILES | CN(C)c1ccc(C(=O)O)cc1O |
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| InChI Key | GBSNAHQRYIDNMO-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 | aminobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acidsaniline and substituted anilinesbenzoic acidsbenzoyl derivativescarboxylic acidsdialkylarylamineshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundso-aminophenols |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundbenzoic aciddialkylarylamineaminobenzoic acid or derivativestertiary amineaniline or substituted anilinesaminophenol1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundo-aminophenolamineorganooxygen compound |
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