| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:00 UTC |
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| Update Date | 2025-03-25 00:47:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160186 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N3O4 |
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| Molecular Mass | 281.1376 |
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| SMILES | Nc1cccc(C(=O)O)c1NCCCCC(N)C(=O)O |
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| InChI Key | VFLIOEHVDPRGHT-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 homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsamino fatty acidsbenzoic acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminesvinylogous amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidebenzoic acid or derivativessecondary amineamino fatty acidsecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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