| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:25 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181770 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H14Cl2O3 |
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| Molecular Mass | 336.032 |
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| SMILES | O=C(O)C1CC(O)c2ccccc2C1c1ccc(Cl)c(Cl)c1 |
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| InChI Key | ZCDGKWXDEZHIOS-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 | aryl chloridescarbonyl compoundscarboxylic acidsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcoholstetralins |
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| Substituents | aryl chloridechlorobenzenealcoholtetralinmonocyclic benzene moietycarbonyl groupcarboxylic acidorganochloridearomatic homopolycyclic compoundcarboxylic acid derivativeorganohalogen compoundaryl halideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative1,2-dichlorobenzenehalobenzene2-naphthalenecarboxylic acidorganooxygen compound |
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