| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:45 UTC |
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| Update Date | 2025-03-21 18:41:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133522 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C13H12O4 |
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| Molecular Mass | 232.0736 |
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| SMILES | O=C(O)C(O)COc1ccc2ccccc2c1 |
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| InChI Key | WBVCRACVYKIHRY-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesphenol etherssecondary alcoholssugar acids and derivatives |
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| Substituents | alcoholphenol ethercarbonyl groupethercarboxylic acidalpha-hydroxy acidmonosaccharidearomatic homopolycyclic compoundhydroxy acidalkyl aryl ethercarboxylic acid derivativesaccharideorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundglyceric_acidsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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