| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:09 UTC |
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| Update Date | 2025-03-21 18:06:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064882 |
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| Frequency | 47.3 |
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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 | CSCCOC(=O)c1ccccc1C(=O)O |
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| InChI Key | MYWNLQRRTPSMSQ-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfenyl compounds |
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| Substituents | carboxylic acidsulfenyl compounddialkylthioetherbenzoylbenzoate esterorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundthioethercarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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