| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:49 UTC |
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| Update Date | 2025-03-25 00:53:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198512 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O6 |
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| Molecular Mass | 252.0634 |
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| SMILES | O=C(O)C(=O)CCc1ccc(C(O)C(=O)O)cc1 |
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| InChI Key | COEKIZOBWIQCAR-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesalpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidalpha-keto acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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