| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:42 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237184 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8O7S |
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| Molecular Mass | 283.9991 |
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| SMILES | O=C(O)c1ccc(O)c2c(OS(=O)(=O)O)cccc12 |
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| InChI Key | JNZQEALYJLTGGR-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 compounds1-hydroxy-2-unsubstituted benzenoidsarylsulfateshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesnaphthols and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-naphthalenecarboxylic acidcarboxylic acid derivativehydroxybenzoic acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivative1-naphtholarylsulfate1-carboxy-2-haloaromatic compoundsulfuric acid esterorganooxygen compound |
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