| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:25 UTC |
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| Update Date | 2025-03-21 18:03:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041906 |
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| Frequency | 81.8 |
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| Structure | |
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| Chemical Formula | C8H7ClO4 |
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| Molecular Mass | 202.0033 |
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| SMILES | COc1cc(C(=O)O)cc(Cl)c1O |
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| InChI Key | XBRYEHVBBMSSCG-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 | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-halobenzoic acidsalkyl aryl ethersanisolesaryl chloridesbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativeshydroxybenzoic acid derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidbenzoic acidm-methoxybenzoic acid or derivativesaryl chloride2-chlorophenolchlorobenzenehalobenzoic acidhalobenzoic acid or derivativesmethoxybenzenearyl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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