| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:35 UTC |
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| Update Date | 2025-03-21 18:35:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104437 |
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| Frequency | 25.9 |
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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 | Cc1ccc(CC(=O)C(=O)O)o1 |
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| InChI Key | HNYLFGDSNRSBNC-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 | keto acids and derivatives |
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| Subclass | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonescarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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