Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:59:18 UTC |
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Update Date | 2025-03-21 18:06:01 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00060540 |
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Frequency | 51.7 |
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Structure | |
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Chemical Formula | C6H8O3 |
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Molecular Mass | 128.0473 |
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SMILES | CC1(O)C=COC(=O)C1 |
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InChI Key | KRJYPFCKFWWBTC-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 compoundsenol estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstertiary alcohols |
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Substituents | alcoholcarbonyl groupdihydropyranonecarboxylic acid derivativelactoneoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeenol esterorganooxygen compound |
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