| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:43 UTC |
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| Update Date | 2025-03-21 17:59:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019162 |
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| Frequency | 214.5 |
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| Structure | |
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| Chemical Formula | C8H7ClO3 |
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| Molecular Mass | 186.0084 |
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| SMILES | COc1ccc(C(=O)O)cc1Cl |
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| InChI Key | IBCQUQXCTOPJOD-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 | p-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 acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidbenzoic acidaryl chloridechlorobenzenehalobenzoic acidhalobenzoic acid or derivativesmethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolehydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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