| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:40 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177764 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20O3 |
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| Molecular Mass | 236.1412 |
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| SMILES | Cc1ccc(C)c(CC(=O)OCC(C)O)c1C |
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| InChI Key | OIKAGDHMSZOMPV-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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