| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:20 UTC |
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| Update Date | 2025-03-25 00:56:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218297 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9ClO2 |
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| Molecular Mass | 220.0291 |
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| SMILES | Cc1cccc2cc(C(=O)O)c(Cl)cc12 |
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| InChI Key | APFPVAFSYMLAEL-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 | naphthalenes |
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| Subclass | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl chlorideschloronaphthaleneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsvinylogous halides |
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| Substituents | aryl chloridecarboxylic acidorganochloridechloronaphthalenearomatic homopolycyclic compoundcarboxylic acid derivativeorganohalogen compoundvinylogous halidearyl halideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compound2-naphthalenecarboxylic acidorganooxygen compound |
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