| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:15 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249955 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O4 |
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| Molecular Mass | 266.1267 |
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| SMILES | COc1cccc(C(CCCN(C)N=O)C(=O)O)c1 |
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| InChI Key | ACZKRMAISNWUMQ-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 | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic n-nitroso compoundsorganic oxidesorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethercarbonyl grouporganic nitroso compoundethercarboxylic acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic n-nitroso compoundorganic oxidemonocarboxylic acid or derivativesphenylbutylamineorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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