| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:47 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203032 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O7 |
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| Molecular Mass | 284.0896 |
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| SMILES | O=C(Oc1ccc(O)cc1)C1CC(O)C(O)C(O)C1O |
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| InChI Key | YCXQBMACWLSJDL-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscyclitols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcyclohexanol1-hydroxy-2-unsubstituted benzenoidcyclitol or derivativeshydroxy acidcyclic alcoholcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol estersecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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