| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:27 UTC |
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| Update Date | 2025-03-25 00:55:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213979 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15ClO3 |
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| Molecular Mass | 242.071 |
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| SMILES | CCCCCOC(=O)c1ccc(Cl)cc1O |
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| InChI Key | VRWAVAFWOPUOKD-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 | benzoic acids and derivatives |
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| Direct Parent | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4-halobenzoic acids and derivativesaryl chloridesbenzoyl derivativescarboxylic acid esterschlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundssalicylic acid and derivativesvinylogous acids |
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| Substituents | organochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloridechlorobenzene3-halophenol3-chlorophenolhalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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