| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:23 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181668 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O6 |
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| Molecular Mass | 218.079 |
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| SMILES | O=C(O)C1=C(O)CCC1C(O)C(O)CO |
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| InChI Key | ABVAOVHLFSTNAS-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 | vinylogous acids |
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| Subclass | vinylogous acids |
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| Direct Parent | vinylogous acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidcarboxylic acid derivativevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary alcoholorganooxygen compound |
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