| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:44 UTC |
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| Update Date | 2025-03-25 00:47:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159633 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO4 |
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| Molecular Mass | 183.0532 |
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| SMILES | O=Cc1cc(CC(O)C(=O)O)c[nH]1 |
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| InChI Key | LCHOABJHSHNRTO-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 derivativesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | alcoholcarboxylic acidaromatic heteromonocyclic compoundazacyclealpha-hydroxy acidheteroaromatic compoundhydroxy acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesaryl-aldehydepyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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