| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:25 UTC |
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| Update Date | 2025-03-25 00:58:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229675 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO4 |
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| Molecular Mass | 291.1471 |
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| SMILES | CCCCC(O)=NC(Cc1ccccc1)C(O)=CC(=O)O |
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| InChI Key | HFVDXLFLEMFRGE-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 | amino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsunsaturated fatty acidsvinylogous acids |
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| Substituents | fatty acylcarbocyclic fatty acidcarboximidic acidcarbonyl groupcarboxylic acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundunsaturated fatty acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidamphetamine or derivativesorganic 1,3-dipolar compoundamino fatty acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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