| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:04 UTC |
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| Update Date | 2025-03-25 01:01:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249536 |
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| Frequency | 0.5 |
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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 | Cc1cc(C)c(C(=O)O)c(=O)o1 |
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| InChI Key | DKYBNUZQEWAUNR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acids |
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| Direct Parent | 1-carboxy-2-haloaromatic compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | heteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | aromatic heteromonocyclic compoundheteroaromatic compoundlactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyranpyranonehydrocarbon derivative1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundorganooxygen compound |
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