| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:44 UTC |
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| Update Date | 2025-03-25 01:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248796 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | COc1ccc(C2(C)CC(O)(C(=O)O)CO2)cc1 |
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| InChI Key | YOAFJBHUTSIVLO-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 ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstertiary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativedialkyl etherorganic oxideorganoheterocyclic compoundalcoholtetrahydrofuranhydroxy acidmethoxybenzeneoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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