| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:59 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224441 |
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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 | O=C(O)C(=O)CC12CC3CC(CC(C3)C1)C2 |
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| InChI Key | YZOSFNYJKDDRSU-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 | keto acids and derivatives |
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| Subclass | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativealiphatic homopolycyclic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativeorganooxygen compound |
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