| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:53 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203245 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O13 |
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| Molecular Mass | 394.0747 |
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| SMILES | O=C(O)CCC(CC(=O)OC1OC(C(=O)O)C(O)(C(=O)O)CC1O)C(=O)O |
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| InChI Key | KMNZRLOWJYISML-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 | carboxylic acids and derivatives |
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| Subclass | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstertiary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidepyran carboxylic acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidpentacarboxylic acid or derivativesoxacyclefatty acid estertertiary alcoholorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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