| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:20 UTC |
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| Update Date | 2025-03-21 18:28:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070120 |
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| Frequency | 43.0 |
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| Structure | |
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| Chemical Formula | C9H10O6 |
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| Molecular Mass | 214.0477 |
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| SMILES | Cc1c(C(O)C(=O)O)cc(O)c(O)c1O |
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| InChI Key | YVQMMRDLCREXEJ-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 | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesortho cresolspara cresolssecondary alcoholstoluenes |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidep-cresolo-cresolalcoholpyrogallol derivativem-cresolhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativetolueneorganooxygen compound |
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