| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:35 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186682 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N2O3 |
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| Molecular Mass | 154.0378 |
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| SMILES | Nc1c[nH]cc1C(=O)C(=O)O |
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| InChI Key | AWDCWERMULFPRB-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 ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativesamino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrrolesvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesketo acidpyrrolehydrocarbon derivativeprimary amineorganic nitrogen compoundaminearyl ketone |
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