| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:46 UTC |
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| Update Date | 2025-03-21 18:04:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052254 |
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| Frequency | 62.3 |
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| Structure | |
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| Chemical Formula | C8H12O2 |
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| Molecular Mass | 140.0837 |
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| SMILES | COC(=O)C1=CCCCC1 |
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| InChI Key | KXPWRCPEMHIZGU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | enoate esters |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | enoate estercarbonyl grouporganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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