| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:41 UTC |
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| Update Date | 2025-03-25 00:50:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182349 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O12 |
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| Molecular Mass | 368.0955 |
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| SMILES | O=C(O)C1OC(OC2CC(O)(C(=O)O)CC(O)C2O)OC(CO)C1O |
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| InChI Key | FEXNJTKXTYHWPU-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 | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesortho estersoxacyclic compoundsprimary alcoholstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidortho esteralpha-hydroxy acidcarboxylic acid orthoestercarboxylic acid derivativebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorthocarboxylic acid derivativeprimary alcoholorganoheterocyclic compoundcyclohexanolhydroxy acidoxacycletertiary alcoholsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativemeta-dioxanequinic acid |
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