| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:26 UTC |
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| Update Date | 2025-03-21 18:04:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049197 |
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| Frequency | 67.1 |
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| Structure | |
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| Chemical Formula | C13H22O12 |
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| Molecular Mass | 370.1111 |
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| SMILES | O=C(O)C1(OCC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O |
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| InChI Key | HVPQWNJCEFJLBN-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl etherbeta-hydroxy acidsaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofuranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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