| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:36:40 UTC |
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| Update Date | 2025-03-24 20:49:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01578713 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C31H53NO27 |
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| Molecular Mass | 871.2805 |
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| SMILES | CC(=O)NC1C(O)C(O)C(OC2C(O)C(CO)OC(COC3(C(=O)O)OC(C(O)C(O)CO)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C2O)OC1C(O)C(O)CO |
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| InChI Key | NNCIJLFNUIZAED-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-dioxanesacetamidesalpha-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acidsdialkyl ethershydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | beta-hydroxy aldehydecarbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl etherbeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydeacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholaldehydecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundmeta-dioxaneorganooxygen compound |
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