| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:47 UTC |
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| Update Date | 2025-03-21 18:06:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061689 |
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| Frequency | 50.4 |
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| Structure | |
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| Chemical Formula | C10H14O5S |
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| Molecular Mass | 246.0562 |
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| SMILES | O=S(=O)(O)OC(O)CCCc1ccccc1 |
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| InChI Key | CHHIGZVTCGDJQR-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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