| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:17 UTC |
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| Update Date | 2025-03-25 00:48:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169935 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O4S |
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| Molecular Mass | 226.03 |
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| SMILES | CCOC(=O)Sc1ccccc1C(=O)O |
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| InChI Key | OBODXGMYFSERNX-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 | o-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl thioethersbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganic thiocarbonic acid derivativessulfenyl compoundsthiolactones |
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| Substituents | carbonyl groupcarbonic acid derivativecarboxylic acidsulfenyl compoundthiocarbonic acid derivativebenzoylorganosulfur compoundcarboxylic acid derivativearyl thioetheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-sulfanylbenzoic acidhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidthiolactoneorganooxygen compound |
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