| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:33 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252910 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7ClN2O3 |
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| Molecular Mass | 190.0145 |
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| SMILES | O=C(O)C(O)Cn1cnc(Cl)c1 |
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| InChI Key | OEMJSWRXSYIMQR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | aryl halides |
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| Subclass | aryl chlorides |
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| Direct Parent | aryl chlorides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochloridealpha-hydroxy acidcarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolearyl chloridealcoholazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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