| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:53 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159941 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H12O4S |
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| Molecular Mass | 324.0456 |
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| SMILES | O=S(=O)(O)Oc1cc2c3ccccc3ccc2c2ccccc12 |
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| InChI Key | XDQAAUBKRAGQIX-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 | chrysenes |
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| Direct Parent | chrysenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | arylsulfateshydrocarbon derivativesnaphthalenesorganic oxidesorganooxygen compoundsphenanthrolssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesphenanthrolaromatic homopolycyclic compoundchryseneorganic oxidenaphthaleneorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compound |
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