| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:55 UTC |
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| Update Date | 2025-03-25 00:59:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235432 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H25N3O3 |
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| Molecular Mass | 379.1896 |
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| SMILES | Cc1ccc(CC(N)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)c1 |
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| InChI Key | FQCKIVPRMALVML-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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativespyrrolessecondary carboxylic acid amidesm-xylenes |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidindolefatty amidealpha-amino acid or derivativesxyleneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundm-xyleneindole or derivativescarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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