| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:44 UTC |
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| Update Date | 2025-03-25 00:46:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157431 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO6 |
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| Molecular Mass | 309.1212 |
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| SMILES | O=C(O)CCCc1c(O)cccc1CCC(=O)NCC(=O)O |
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| InChI Key | ASGQTUDYABOBGG-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amide1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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