| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:55 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155647 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H12O4S |
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| Molecular Mass | 288.0456 |
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| SMILES | Cc1cccc2c1ccc1c(OS(=O)(=O)O)cccc12 |
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| InChI Key | JJPJCRCYSYPSSR-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 | phenanthrenes and derivatives |
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| Subclass | phenanthrenes and derivatives |
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| Direct Parent | phenanthrenes and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | arylsulfateshydrocarbon derivativesnaphthalenesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | phenanthrenesulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homopolycyclic compoundorganic oxidenaphthaleneorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compound |
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