| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:55 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153294 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H25N3O4 |
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| Molecular Mass | 335.1845 |
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| SMILES | COc1ccc2[nH]cc(C(O)CNCCCCC(N)C(=O)O)c2c1 |
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| InChI Key | UQEHZHHISKKVPB-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 | alkyl aryl ethersamino acidsamino fatty acidsanisolesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsindolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholfatty acylphenol ethercarbonyl groupethercarboxylic acidamino acidheterocyclic fatty acidindolefatty acidalkyl aryl ethermedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary amineamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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