| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:10 UTC |
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| Update Date | 2025-03-25 00:47:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165125 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14O7 |
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| Molecular Mass | 246.074 |
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| SMILES | CC=CC(=O)C1OC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | XSSHROYPGSOVKM-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativescarboxylic acidshemiacetalshydrocarbon derivativesketonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | carbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha-hydroxy acidmonosaccharidealpha,beta-unsaturated ketonecarboxylic acid derivativepyran carboxylic acidketoneorganic oxidealiphatic heteromonocyclic compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolc-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivative |
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