| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:49:30 UTC |
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| Update Date | 2025-03-25 00:25:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01322042 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C49H69N13O12 |
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| Molecular Mass | 1031.5189 |
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| SMILES | CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(=O)O)C(C)C)C(=O)NC(=O)C(=O)N1CCCC1C(Cc1cnc[nH]1)NC(=O)Cc1ccc(O)cc1 |
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| InChI Key | LEGYLUHVODAPLV-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 | oligopeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativesaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdicarboximidesguanidinesheteroaromatic compoundshydrocarbon derivativesimidazolesisoleucine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsn-acylpyrrolidinesn-unsubstituted carboxylic acid imidesorganic oxidesorganopnictogen compoundsphenylacetamidesphenylalanine and derivativespropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidestertiary carboxylic acid amidestyrosine and derivativesvaline and derivatives |
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| Substituents | monocyclic benzene moietycarboxylic acidalpha-amino acid or derivativescarboxylic acid imide, n-unsubstitutedorganonitrogen compoundalpha-amino acidisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativestyrosine or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidvaline or derivativesheteroaromatic compoundorganic 1,3-dipolar compoundn-substituted-alpha-amino acidcarboxylic acid imidesecondary carboxylic acid amideaspartic acid or derivativesphenolhydrocarbon derivativeprimary aliphatic aminefatty acylcarbonyl grouparomatic heteromonocyclic compoundguanidinefatty amiden-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundorganic oxideimidazoletertiary carboxylic acid amideorganopnictogen compounddicarboximidepyrrolidinephenylacetamideamphetamine or derivativesazolecarboximidamidecarboxamide groupn-acyl-aminemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundbenzenoidalpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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