| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:53 UTC |
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| Update Date | 2025-03-21 18:31:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085864 |
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| Frequency | 33.2 |
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| Structure | |
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| Chemical Formula | C8H10O6 |
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| Molecular Mass | 202.0477 |
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| SMILES | O=C(O)C1CC(O)C=CC1(O)C(=O)O |
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| InChI Key | AAFSAMPCOPYBJP-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidtertiary alcoholorganic oxideorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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