| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:34 UTC |
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| Update Date | 2025-03-25 00:45:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150117 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H26N2O5 |
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| Molecular Mass | 338.1842 |
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| SMILES | CCC(C)C(NC(=O)CCCCn1c(C=O)ccc1CO)C(=O)O |
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| InChI Key | XROOOCRMQBTSQG-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 | isoleucine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaromatic alcoholsaryl-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessubstituted pyrroles |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amidesubstituted pyrroleorganic oxidearyl-aldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundaldehydecarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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