| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:56 UTC |
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| Update Date | 2025-03-25 00:52:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196448 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O2 |
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| Molecular Mass | 194.1307 |
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| SMILES | CCC1(C)CC(C)=CC(C)=C1C(=O)O |
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| InChI Key | VSZWMOMEPHUBGK-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 acids |
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| Direct Parent | carboxylic acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl grouporganic oxidemonocarboxylic acid or derivativescarboxylic acidorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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