| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:02 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178616 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO3 |
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| Molecular Mass | 235.1208 |
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| SMILES | Cc1cccc(CC(=O)CC(N)C(=O)O)c1C |
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| InChI Key | OPIAJUXSKPIEAC-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidscarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundso-xylenes |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativeketonexyleneorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundamino fatty acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativeso-xyleneorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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