| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:44:16 UTC |
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| Update Date | 2025-03-24 22:12:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02024800 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C28H45NO33S3 |
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| Molecular Mass | 1019.1036 |
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| SMILES | CC(=O)NC1C(O)CC(OC2C(O)C(COS(=O)(=O)O)OC(OC3C(COS(=O)(=O)O)OC(OC4C(CO)OC(O)C(O)C4O)OC(COS(=O)(=O)O)C3O)C2O)(C(=O)O)OC1C(=O)O |
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| InChI Key | SSPBIDFFZCFIJJ-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-dioxepanesacetamidesalkyl sulfatescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | 1,3-dioxepanesulfuric acid monoestercarbonyl groupcarboxylic acidortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativesaccharideorganic oxideacetalketalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalorthocarboxylic acid derivativeoxaneprimary alcoholacetamidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescarboxamide groupdioxepaneoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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