| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:21 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181594 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O5S |
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| Molecular Mass | 242.0249 |
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| SMILES | O=C(O)CCSc1cccc(O)c1C(=O)O |
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| InChI Key | JCEORTQNZQBDCQ-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 compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylarylthioethersbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessalicylic acidssulfenyl compoundsthiophenol ethersthiophenolsvinylogous acidsvinylogous thioesters |
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| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolo-sulfanylbenzoic acidthiophenol ether1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous thioestersulfenyl compound1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesthioetherdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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