| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:59 UTC |
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| Update Date | 2025-03-25 01:01:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249341 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O5 |
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| Molecular Mass | 284.1372 |
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| SMILES | COc1cc(CC(N)C(O)CC(N)C(=O)O)ccc1O |
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| InChI Key | WMVQIJAYTDPZIP-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 | methoxylated amphetamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsamino fatty acidsanisolescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethercarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolfatty acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholmethoxylated amphetamineamino fatty acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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