Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 06:43:22 UTC |
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Update Date | 2025-03-24 17:56:27 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID01018376 |
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Frequency | 1.4 |
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Structure | |
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Chemical Formula | C7H10O2 |
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Molecular Mass | 126.0681 |
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SMILES | CC1=CC(=O)OCCC1 |
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InChI Key | GVFMOJVECOZLLC-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 acid derivatives |
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Direct Parent | enoate esters |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | carbonyl compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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Substituents | enoate estercarbonyl grouplactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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