| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:48 UTC |
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| Update Date | 2025-03-21 18:33:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095106 |
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| Frequency | 29.2 |
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| Structure | |
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| Chemical Formula | C8H7ClO2 |
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| Molecular Mass | 170.0135 |
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| SMILES | O=C(Cl)C(O)c1ccccc1 |
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| InChI Key | PUWQVDWJJCSTLK-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 | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyl chloridesaromatic alcoholscarbonyl compoundschlorohydrinshydrocarbon derivativesorganic oxidesorganochloridessecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupchlorohydrinhalohydrinorganochlorideorganohalogen compoundacyl halidearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundacyl chloridesecondary alcoholhydrocarbon derivativeorganooxygen compound |
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