| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:56 UTC |
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| Update Date | 2025-03-25 00:48:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166921 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20O5 |
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| Molecular Mass | 268.1311 |
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| SMILES | CC(C)(C)c1cc(C(O)CC(O)C(=O)O)ccc1O |
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| InChI Key | XPLIHXDKORJBMH-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidhydroxy acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
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