| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:30 UTC |
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| Update Date | 2025-03-21 18:02:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037395 |
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| Frequency | 94.2 |
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| Structure | |
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| Chemical Formula | C8H8O5 |
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| Molecular Mass | 184.0372 |
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| SMILES | O=C(O)C(O)Oc1ccc(O)cc1 |
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| InChI Key | IBTJWVSOQBNHMN-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol etherphenoxyacetate4-alkoxyphenolcarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhemiacetalhydrocarbon derivativephenoxy compoundorganooxygen compound |
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