| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:06 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160396 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21N3O2 |
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| Molecular Mass | 287.1634 |
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| SMILES | Nc1ccc(NCCCCC(N)C(=O)O)c2ccccc12 |
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| InChI Key | NDBFJUCFOKTTHO-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidaromatic homopolycyclic compoundsecondary amineamino fatty acidsecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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