| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:17 UTC |
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| Update Date | 2025-03-25 00:58:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233939 |
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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 | O=C(O)CCC1(O)CC(C(=O)O)=CC(O)C1O |
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| InChI Key | HXRGLNVFUUKEJS-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 | shikimic acids and derivatves |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidcarboxylic acid derivativeshikimic acid or derivativestertiary alcoholorganic oxidesecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivative |
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