| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:18 UTC |
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| Update Date | 2025-03-25 00:46:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156498 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO7S |
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| Molecular Mass | 305.0569 |
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| SMILES | Cc1[nH]cc(CCC(=O)O)c1CCC(=O)OS(=O)(=O)O |
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| InChI Key | XPVQDBCMHUQFRE-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 | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid monoesters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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