| 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 | DMID02202493 |
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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)c1ccc2ccc(OS(=O)(=O)O)cc2c1O |
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| InChI Key | LREYHDVKRALJAN-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-4-unsubstituted benzenoidsarylsulfateshydrocarbon derivativesmonocarboxylic acids and derivativesnaphthols and derivativesorganic oxidesorganooxygen compoundssalicylic acid and derivativessulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivativesaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxybenzoic acidvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativessulfate-esterhydrocarbon derivative1-naphtholarylsulfate1-carboxy-2-haloaromatic compound2-naphthalenecarboxylic acidsulfuric acid esterorganooxygen compound |
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