| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:23 UTC |
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| Update Date | 2025-03-25 00:56:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216085 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O4 |
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| Molecular Mass | 306.158 |
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| SMILES | CCCCC=C(N=C(O)C(N)Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | IHMAMGXOJPUWGJ-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 benzenoidsalpha amino acidsamino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsunsaturated fatty acids |
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| Substituents | fatty acylcarbocyclic fatty acidcarboximidic acidcarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidfatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidamphetamine or derivativesorganic 1,3-dipolar compoundamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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