| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:43 UTC |
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| Update Date | 2025-03-21 17:59:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023638 |
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| Frequency | 190.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O5 |
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| Molecular Mass | 252.0746 |
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| SMILES | Nc1c(O)cccc1C(=O)CC(=O)NCC(=O)O |
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| InChI Key | ROLTVGQHZVMWHO-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 benzenoidsalkyl-phenylketonesalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneamino acidfatty amidebenzoyl1-hydroxy-2-unsubstituted benzenoidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amide1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acylglycinephenylketonearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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