| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:41 UTC |
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| Update Date | 2025-03-21 18:36:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112003 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C11H8O6S |
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| Molecular Mass | 268.0042 |
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| SMILES | O=C(O)c1cccc2cccc(OS(=O)(=O)O)c12 |
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| InChI Key | PTHOMHZPCZAEGJ-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 compoundsarylsulfateshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivativesaromatic homopolycyclic compound1-naphthalenecarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfate1-carboxy-2-haloaromatic compoundsulfuric acid esterorganooxygen compound |
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