| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:04 UTC |
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| Update Date | 2025-03-21 18:41:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134227 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C13H22O11 |
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| Molecular Mass | 354.1162 |
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| SMILES | CC1OC(OC2C(O)CC(O)(C(=O)O)OC2CO)C(O)C(O)C1O |
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| InChI Key | XOHSMMPJJCQASE-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 acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundhemiacetaloxaneprimary alcoholalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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