| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:45 UTC |
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| Update Date | 2025-03-25 00:56:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216936 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H36O20 |
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| Molecular Mass | 608.18 |
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| SMILES | O=C(O)C1(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2O)OC(C(O)C(O)CO)OC(CO)C1O |
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| InChI Key | HUMTXIMWROHZNH-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 | 1,3-dioxanescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativeoxacyclebeta-hydroxy acidsaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalketalaliphatic heteromonocyclic compoundsecondary alcoholhemiacetalhydrocarbon derivativeoxaneprimary alcoholmeta-dioxaneorganoheterocyclic compoundorganooxygen compound |
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