| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:43 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23NO5 |
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| Molecular Mass | 297.1576 |
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| SMILES | COc1cc(C(O)(CCCN(C)C)CC(=O)O)ccc1O |
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| InChI Key | LERDWIUQONATIM-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersamino acidsamino fatty acidsanisolesaromatic alcoholscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylpropanoic acidstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholfatty acylcarbocyclic fatty acidphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidtertiary aminealcoholtertiary aliphatic amineamino fatty acidmethoxybenzenearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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