| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:51 UTC |
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| Update Date | 2025-03-25 00:52:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196271 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18O3 |
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| Molecular Mass | 198.1256 |
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| SMILES | CC1=C(CCC(=O)O)CCC(C)(C)O1 |
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| InChI Key | RGHSOGXOQPVATH-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | oxacyclecarbonyl grouporganic oxidemonocarboxylic acid or derivativescarboxylic acidorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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