| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:03 UTC |
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| Update Date | 2025-03-25 00:51:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187751 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H40N2O18 |
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| Molecular Mass | 632.2276 |
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| SMILES | CC(=O)NC1C(OC2OC(OC(C(O)CO)C(O)C(O)C=O)OC(CO)C2O)OC(C(O)C(O)CO)C(NC(C)=O)C1O |
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| InChI Key | FUGVCFLSPOCYAL-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 | orthocarboxylic acid derivatives |
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| Subclass | carboxylic acid orthoesters |
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| Direct Parent | carboxylic acid orthoesters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesacetalsacetamidesalpha-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | beta-hydroxy aldehydecarbonyl grouportho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativesaccharideorganic oxidealpha-hydroxyaldehydeacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholaldehydecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundmeta-dioxaneorganooxygen compound |
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