| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:25 UTC |
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| Update Date | 2025-03-21 17:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022948 |
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| Frequency | 172.2 |
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| Structure | |
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| Chemical Formula | C12H14O6 |
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| Molecular Mass | 254.079 |
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| SMILES | COc1cc(CC(=O)C(=O)O)cc(OC)c1OC |
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| InChI Key | NYRJTUWNBNNATI-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidphenylpyruvate3-phenylpropanoic-acidalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativemethoxybenzeneketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidalpha-keto acidhydrocarbon derivativephenoxy compoundorganooxygen compound |
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