| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:27 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181828 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O4S |
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| Molecular Mass | 240.0456 |
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| SMILES | O=C(O)C(=O)CSCc1ccccc1CO |
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| InChI Key | DGXZXVJRCZQIPI-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 | benzyl alcohols |
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| Direct Parent | benzyl alcohols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherbenzyl alcoholorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidalpha-keto acidhydrocarbon derivativeorganooxygen compound |
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