| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:58 UTC |
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| Update Date | 2025-03-21 18:04:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050422 |
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| Frequency | 65.1 |
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| Structure | |
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| Chemical Formula | C12H18N2O3 |
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| Molecular Mass | 238.1317 |
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| SMILES | COc1ccc(C(O)CCCN(C)N=O)cc1 |
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| InChI Key | SXSNCIGEWZEFDW-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 compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholphenol etherorganic nitroso compoundetheralkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic n-nitroso compoundorganic oxidephenylbutylamineorganic oxygen compoundanisoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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