| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:56 UTC |
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| Update Date | 2025-03-25 01:00:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242266 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H24N2O3 |
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| Molecular Mass | 280.1787 |
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| SMILES | CC(C)CCC(O)N=C(O)C(N)Cc1ccc(O)cc1 |
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| InChI Key | GMRWNPZXUJTTIP-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 | 1-hydroxy-2-unsubstituted benzenoidsalkanolaminesbenzene and substituted derivativescarboximidic acidshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acid1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivativesalkanolamine |
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