Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:51:22 UTC |
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Update Date | 2025-03-25 00:50:33 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02181653 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C19H32O17 |
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Molecular Mass | 532.164 |
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SMILES | O=C(O)C1(OCC2(OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)COC(CO)C(O)C1O |
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InChI Key | FARUDPWJXGFPKX-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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