| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:55 UTC |
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| Update Date | 2025-03-25 00:53:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201109 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8ClNO3 |
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| Molecular Mass | 201.0193 |
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| SMILES | COc1cc(C(N)=O)c(Cl)cc1O |
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| InChI Key | QJEGZDWHFHODSX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halobenzoic acids and derivativesalkyl aryl ethersanisolesaryl chloridesbenzamidesbenzoyl derivativescarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsmethoxybenzenesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsprimary carboxylic acid amidesvinylogous halides |
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| Substituents | primary carboxylic acid amidephenol ethermonocyclic benzene moietyetherorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzene3-halophenol3-chlorophenolbenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupmethoxybenzenevinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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