| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:13 UTC |
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| Update Date | 2025-03-25 00:54:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204016 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8O5S |
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| Molecular Mass | 252.0092 |
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| SMILES | O=c1ccc2ccc(OS(=O)(=O)O)cc2cc1 |
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| InChI Key | HPOSLPGNGSWGFM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | benzenoidscyclic ketonesorganic oxidesorganooxygen compoundssulfuric acid monoesterstropones |
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| Substituents | sulfuric acid monoestertroponearomatic homopolycyclic compoundcyclic ketoneorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganooxygen compound |
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