| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:22 UTC |
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| Update Date | 2025-03-25 00:49:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177056 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O4 |
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| Molecular Mass | 294.158 |
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| SMILES | CC(C(=O)O)c1ccc(NCCCCC(N)C(=O)O)cc1 |
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| InChI Key | KZMNIEQAIOVFDE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary amineamino fatty acidsecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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