| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:22 UTC |
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| Update Date | 2025-03-21 18:03:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046662 |
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| Frequency | 71.6 |
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| Structure | |
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| Chemical Formula | C8H10O2S |
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| Molecular Mass | 170.0402 |
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| SMILES | Cc1ccc(C)c(S(=O)O)c1 |
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| InChI Key | BRGJSFYUDBMQEM-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 | xylenes |
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| Direct Parent | p-xylenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesorganosulfur compoundssulfinic acids |
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| Substituents | aromatic homomonocyclic compoundorganic oxidep-xyleneorganic oxygen compoundsulfinic acid derivativehydrocarbon derivativeorganosulfur compoundsulfinic acid |
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