| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:13 UTC |
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| Update Date | 2025-03-25 00:57:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224928 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO8S |
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| Molecular Mass | 305.0205 |
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| SMILES | Nc1ccc(O)cc1C(=O)CC(=O)OCOS(=O)(=O)O |
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| InChI Key | FOOZKEYJDZTPCE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl sulfatesamino acids and derivativesaryl alkyl ketonesbenzoyl derivativesbeta-keto acids and derivativescarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessulfuric acid monoestersvinylogous amides |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoesteraryl alkyl ketoneamino acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundvinylogous amideorganic sulfuric acid or derivativesaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesketo acidcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundsulfuric acid esteraminealkyl-phenylketone |
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