| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:09 UTC |
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| Update Date | 2025-03-21 18:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029335 |
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| Frequency | 127.5 |
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| Structure | |
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| Chemical Formula | C12H15NO5 |
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| Molecular Mass | 253.095 |
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| SMILES | O=Cc1ccc(CO)n1CCCCC(=O)C(=O)O |
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| InChI Key | UWHOWGKXWUYBLB-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidsaromatic alcoholsaryl-aldehydesazacyclic compoundscarboxylic acidsfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidsubstituted pyrrolealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidearyl-aldehydeorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundaldehydeamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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