| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:58 UTC |
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| Update Date | 2025-03-21 18:29:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078940 |
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| Frequency | 65.9 |
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| Structure | |
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| Chemical Formula | C12H18N2O2 |
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| Molecular Mass | 222.1368 |
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| SMILES | CC(O)C(Cc1ccccc1)N=C(O)CN |
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| InChI Key | HRSXTGXATKDWBS-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 | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarboximidic acidshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholcarboximidic acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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