| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:20:15 UTC |
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| Update Date | 2025-03-24 16:47:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00963283 |
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| Frequency | 1.5 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | CC(=O)C1C=C(C)C(=O)O1 |
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| InChI Key | KJXWRBDEWYNUQQ-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 | carbonyl compounds |
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| Direct Parent | alpha-acyloxy ketones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | butenolidesdihydrofuransenoate estershydrocarbon derivativesketoneslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | enoate esteralpha-acyloxy ketonecarboxylic acid derivativeketonelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compounddihydrofuran |
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