| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:16 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179097 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O2S |
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| Molecular Mass | 218.0402 |
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| SMILES | CSc1c(C(=O)O)ccc2ccccc12 |
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| InChI Key | YWVYRCBUFOYFHS-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 compoundsalkylarylthioethershydrocarbon derivativesmonocarboxylic acids and derivativeso-sulfanylbenzoic acidsorganic oxidesorganooxygen compoundssulfenyl compoundsthiophenol ethersthiophenolsvinylogous thioesters |
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| Substituents | vinylogous thioestercarboxylic acidsulfenyl compoundaromatic homopolycyclic compoundalkylarylthioetherorganosulfur compoundcarboxylic acid derivativeo-sulfanylbenzoic acid or derivativesaryl thioetherorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioethero-sulfanylbenzoic acidthiophenol etherhydrocarbon derivative1-carboxy-2-haloaromatic compound2-naphthalenecarboxylic acidorganooxygen compound |
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