| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:33 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202477 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8O4S |
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| Molecular Mass | 236.0143 |
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| SMILES | O=C(O)c1cc2ccccc2cc1S(=O)O |
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| InChI Key | WLPAZXIPZOCUEX-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 derivativeso-sulfanylbenzoic acidsorganic oxidesorganooxygen compoundsorganosulfur compoundssulfinic acids |
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| Substituents | carboxylic acidsulfinic acid derivativearomatic homopolycyclic compoundorganosulfur compoundcarboxylic acid derivativeo-sulfanylbenzoic acid or derivativessulfinic acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-sulfanylbenzoic acidhydrocarbon derivative1-carboxy-2-haloaromatic compound2-naphthalenecarboxylic acidorganooxygen compound |
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