| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:31 UTC |
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| Update Date | 2025-03-25 00:45:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152345 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H25N3O3 |
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| Molecular Mass | 355.1896 |
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| SMILES | NC(CCCCNCC1(c2ccccc2)Nc2ccccc2O1)C(=O)O |
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| InChI Key | RHTLPWRERCFARN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsazacyclic compoundsbenzene and substituted derivativesbenzoxazolinescarbonyl compoundscarboxylic acidsdialkylaminesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alkylarylamines |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidmedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundsecondary aliphatic amineazacyclebenzoxazolinesecondary amineamino fatty acidsecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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