| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:24 UTC |
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| Update Date | 2025-03-21 18:34:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101503 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C7H10O8 |
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| Molecular Mass | 222.0376 |
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| SMILES | O=C(O)C1OC(O)C(O)(C(=O)O)CC1O |
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| InChI Key | IAGINDQWCBTGOH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundhemiacetaloxanealcoholpyran carboxylic acid or derivativeshydroxy acidoxacycletertiary alcoholorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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