| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:17 UTC |
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| Update Date | 2025-03-21 18:03:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041567 |
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| Frequency | 82.6 |
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| Structure | |
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| Chemical Formula | C18H25N3O3 |
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| Molecular Mass | 331.1896 |
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| SMILES | CCC(C)C(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OC |
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| InChI Key | KJXQTLXKXSATBX-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 | peptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundsfatty acid estersheteroaromatic compoundshydrocarbon derivativesindolesisoleucine and derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupindolefatty amidealpha-amino acid or derivativesalpha peptideorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amidealpha-amino acid esterazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupn-acyl-aminesecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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