| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:29 UTC |
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| Update Date | 2025-03-25 00:52:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190952 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O3 |
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| Molecular Mass | 222.1256 |
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| SMILES | C=CC1=C(C)C(CCC(=O)O)C(C)(C)C1=O |
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| InChI Key | ZZHJYCBQCZJLSV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | iridoids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxides |
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| Substituents | carbonyl groupmonocyclic monoterpenoidcarboxylic acidcyclic ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivative11-noriridane monoterpenoidorganooxygen compound |
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