| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:08 UTC |
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| Update Date | 2025-03-25 00:59:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240391 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO4 |
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| Molecular Mass | 235.0845 |
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| SMILES | NC(Cc1ccccc1)C(=O)C(=O)CC(=O)O |
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| InChI Key | JCPZBPANLPYZNC-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 | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-diketonesamino fatty acidsbenzene and substituted derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidcarbonyl groupcarboxylic acidcarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundamphetamine or derivativesamino fatty acidalpha-diketonegamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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