| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:54 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201067 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O5 |
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| Molecular Mass | 292.1311 |
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| SMILES | COc1cc(CC2C(=O)CCC2CCC(=O)O)ccc1O |
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| InChI Key | AHEMCTRCGGWJGE-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarboxylic acidscyclic ketoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethercarboxylic acid derivativemethoxybenzeneketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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