| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:54 UTC |
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| Update Date | 2025-03-25 00:47:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162201 |
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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 | C=CC1(C)COC(C)(C(=O)O)C(C)C1 |
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| InChI Key | IAFYFKGJVOGMNW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | carbonyl groupethercarboxylic acidpyran carboxylic acid or derivativescarboxylic acid derivativedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeoxaneorganooxygen compound |
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