| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:32:52 UTC |
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| Update Date | 2025-03-24 21:41:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01855518 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C35H59N3O39S5 |
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| Molecular Mass | 1305.1329 |
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| SMILES | CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COS(=O)(=O)O)OC(OC2C(COS(=O)(=O)O)OC(OC3C(O)C(NC(C)=O)C(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)C3NC(C)=O)OC2COS(=O)(=O)O)C1O |
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| InChI Key | DMKKPQUBLLTVQJ-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-dioxanesacetalsacetamidesalkyl sulfatescarbonyl compoundscarboxylic acids and derivativescyclitols and derivativescyclopentanolsdialkyl ethershemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupetherortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativedialkyl ethersaccharideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamidealcoholorganic sulfuric acid or derivativescyclitol or derivativescyclic alcoholcarboxamide groupcyclopentanoloxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid estermeta-dioxaneorganooxygen compound |
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