| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:15 UTC |
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| Update Date | 2025-03-25 00:59:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236168 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O4 |
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| Molecular Mass | 254.1267 |
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| SMILES | COc1ccc(C(O)(O)CCCN(C)N=O)cc1 |
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| InChI Key | GXDVYHNXXSNKIB-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 ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesorganic n-nitroso compoundsorganic oxidesorganopnictogen compoundsphenoxy compounds |
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| Substituents | aromatic alcoholphenol etherorganic nitroso compoundetheralkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic n-nitroso compoundorganic oxidephenylbutylamineorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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