| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:46 UTC |
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| Update Date | 2025-03-25 00:48:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166536 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O9 |
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| Molecular Mass | 264.0481 |
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| SMILES | CC(=O)OC1OC(C(=O)O)C(O)(C(=O)O)CC1O |
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| InChI Key | NXYSWZIFQVMNOA-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 | acetalsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundoxanealcoholpyran carboxylic acid or derivativeshydroxy acidoxacycletertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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