| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:47 UTC |
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| Update Date | 2025-03-21 17:58:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017076 |
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| Frequency | 248.3 |
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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 | COc1ccc2cc(C(O)C(=O)O)ccc2c1 |
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| InChI Key | ILTWCDBBZJLOLP-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 derivativesanisolesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholphenol ethercarbonyl groupethercarboxylic acidalpha-hydroxy acidaromatic homopolycyclic compoundhydroxy acidalkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganooxygen compound |
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