| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:07 UTC |
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| Update Date | 2025-03-21 18:30:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081696 |
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| Frequency | 35.4 |
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| Structure | |
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| Chemical Formula | C11H15NO5 |
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| Molecular Mass | 241.095 |
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| SMILES | O=Cc1ccc(CO)n1CCCC(O)C(=O)O |
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| InChI Key | KOJJWBQWMLXBHO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | aromatic alcoholcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidmonosaccharidesubstituted pyrrolecarboxylic acid derivativesaccharideorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativespyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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