| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:34 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184303 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO5 |
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| Molecular Mass | 251.0794 |
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| SMILES | NC(CC(O)=C(C(=O)O)c1ccccc1)C(=O)O |
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| InChI Key | PPWYQECKNUUBNC-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 | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsunsaturated fatty acidsvinylogous acids |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty acidmedium-chain hydroxy acidunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidamino fatty acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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