| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:43:11 UTC |
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| Update Date | 2025-03-24 20:52:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01593630 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | CC1(O)CC=CC(=O)OC1 |
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| InChI Key | IQNWWRAYRYXKHT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | tertiary alcohols |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | enoate estercarbonyl groupcarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic estertertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compound |
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