| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:29 UTC |
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| Update Date | 2025-03-21 18:31:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087225 |
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| Frequency | 32.6 |
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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)COc1c(O)cccc1O |
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| InChI Key | YYMIMOVMRFXLPL-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundsresorcinols |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeresorcinolaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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