| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:47 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203033 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6O3S |
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| Molecular Mass | 170.0038 |
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| SMILES | O=C(S)c1c(O)cccc1O |
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| InChI Key | ZDNJQKUZBFWMKC-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 | salicylic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylthiolsbenzenecarbothioic s-acidsbenzoyl derivativescarbodithioic acidscarbothioic s-acidscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundsresorcinolsthiobenzoic acids and derivativesthiocarboxylic acids and derivativesthiolactonesvinylogous acids |
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| Substituents | benzenecarbothioic s-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeresorcinolorganic oxidethiolactonethiobenzoic acid or derivativesthiocarboxylic acid or derivativescarbodithioic acid1-hydroxy-4-unsubstituted benzenoidcarbothioic s-acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativealkylthiolorganooxygen compound |
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