| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:35 UTC |
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| Update Date | 2025-03-21 18:06:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063546 |
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| Frequency | 48.6 |
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| Structure | |
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| Chemical Formula | C10H13NO5 |
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| Molecular Mass | 227.0794 |
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| SMILES | O=Cc1ccc(CO)n1CCC(O)C(=O)O |
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| InChI Key | QZDFVXBIDMTSDS-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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