| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:00 UTC |
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| Update Date | 2025-03-21 17:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00003861 |
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| Frequency | 1493.5 |
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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 | Cc1c(C(=O)O)cc(O)c(O)c1O |
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| InChI Key | CFOCOVNPZDVGDV-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolspara cresolspyrogallols and derivativestoluenes |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidep-cresolo-cresol1-carboxy-2-haloaromatic compoundbenzoic acidpyrogallol derivativem-cresolbenzenetriol1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativetolueneorganooxygen compound |
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