| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:29 UTC |
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| Update Date | 2025-03-21 17:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020879 |
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| Frequency | 192.8 |
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| Structure | |
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| Chemical Formula | C12H16O3 |
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| Molecular Mass | 208.1099 |
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| SMILES | COc1ccc(C(=O)OCC(C)C)cc1 |
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| InChI Key | HQYSDZUOGBUYJA-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 | benzoic acids and derivatives |
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| Direct Parent | p-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoic acid estersbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol etheretherbenzoylbenzoate esteralkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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