| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:38:39 UTC |
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| Update Date | 2025-03-24 20:24:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01439670 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C29H48N2O35S4 |
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| Molecular Mass | 1112.092 |
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| SMILES | CC(=O)NC1C(O)CC(OC2OC(OC3C(O)C(COS(=O)(=O)O)OC(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)C(NC(C)=O)C3O)OC(COS(=O)(=O)O)C2O)(C(=O)O)OC1COS(=O)(=O)O |
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| InChI Key | RNTWFXDCEDEFBA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesacetamidesalkyl sulfatescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidshemiacetalshydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanesoxepanessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativesaccharideorganic oxideacetalketalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalorthocarboxylic acid derivativeoxaneacetamidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescarboxamide groupoxepaneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid estermeta-dioxaneorganooxygen compound |
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