| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:41 UTC |
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| Update Date | 2025-03-21 18:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035380 |
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| Frequency | 100.9 |
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| Structure | |
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| Chemical Formula | C8H8O4 |
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| Molecular Mass | 168.0423 |
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| SMILES | Cc1c(O)cc(O)cc1C(=O)O |
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| InChI Key | SHHIMUFCXCXSMK-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 derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolspara cresolsresorcinolstoluenes |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeresorcinolhydroxybenzoic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundp-cresolo-cresolphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidtolueneorganooxygen compound |
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