| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:19:37 UTC |
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| Update Date | 2025-03-21 18:36:11 UTC |
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| HMDB ID | HMDB0135313 |
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| Metabolite Identification |
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| DeepMet ID | DMID00109420 |
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| Name | (3-phenylpropoxy)sulfonic acid |
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| Frequency | 24.4 |
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| Structure | |
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| Chemical Formula | C9H12O4S |
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| Molecular Mass | 216.0456 |
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| SMILES | O=S(=O)(O)OCCCc1ccccc1 |
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| InChI Key | YLMGHAIVYBOKKH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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