| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:11 UTC |
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| Update Date | 2025-03-21 18:37:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115620 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C9H9ClO4 |
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| Molecular Mass | 216.0189 |
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| SMILES | COc1cc(C(=O)O)cc(Cl)c1OC |
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| InChI Key | WUBQRSNEXSSLFX-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 acidschlorobenzenesdimethoxybenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesp-methoxybenzoic acids and derivativesphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylalkyl aryl ethercarboxylic acid derivativeorganohalogen compounddimethoxybenzeneorganic oxide3-halobenzoic acido-dimethoxybenzenebenzoic acidm-methoxybenzoic acid or derivativesaryl chloridechlorobenzenehalobenzoic acidhalobenzoic acid or derivativesmethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolehydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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