| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:18 UTC |
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| Update Date | 2025-03-25 00:59:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236274 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O3S |
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| Molecular Mass | 234.0351 |
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| SMILES | CS(=O)c1cccc2cccc(C(=O)O)c12 |
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| InChI Key | XWTOHSRBNNSUGJ-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 | naphthalenes |
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| Subclass | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfinyl compoundssulfoxides |
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| Substituents | carboxylic acidaromatic homopolycyclic compound1-naphthalenecarboxylic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivative1-carboxy-2-haloaromatic compoundorganooxygen compound |
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