| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:23 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234153 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO4 |
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| Molecular Mass | 197.0688 |
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| SMILES | CC(=O)c1cccn1CC(O)C(=O)O |
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| InChI Key | MYIDIZWYXPVXBG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | carboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundalpha-hydroxy acidsubstituted pyrrolecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativespyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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