| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:45 UTC |
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| Update Date | 2025-03-21 18:28:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071136 |
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| Frequency | 42.2 |
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| Structure | |
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| Chemical Formula | C14H20N2O4 |
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| Molecular Mass | 280.1423 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)CCCN(C)N=O)cc1 |
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| InChI Key | VXGXWSKZSNLPTA-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 | aromatic alcoholsaromatic monoterpenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic n-nitroso compoundsorganic oxidesorganopnictogen compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | aromatic alcoholmonoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenecarboxylic acid derivativeorganic n-nitroso compoundorganic oxidephenylbutylamine2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundalcoholorganic nitroso compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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