| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:56 UTC |
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| Update Date | 2025-03-21 18:05:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059647 |
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| Frequency | 52.6 |
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| Structure | |
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| Chemical Formula | C9H14O3 |
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| Molecular Mass | 170.0943 |
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| SMILES | CC1=CCC(C(C)(C)O)OC1=O |
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| InChI Key | BAEAXVFABHKALI-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 | pyranones and derivatives |
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| Direct Parent | dihydropyranones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstertiary alcohols |
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| Substituents | enoate esteralcoholcarbonyl groupdihydropyranonecarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic estertertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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