| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:32 UTC |
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| Update Date | 2025-03-21 18:38:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121260 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C9H10O5 |
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| Molecular Mass | 198.0528 |
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| SMILES | O=C(O)C(CO)Oc1ccccc1O |
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| InChI Key | ORTNJJPKEHFPTF-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 ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundsprimary alcoholssugar acids and derivatives |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxideglyceric_acidprimary alcoholalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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