| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:44 UTC |
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| Update Date | 2025-03-25 00:59:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H10O5S |
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| Molecular Mass | 314.0249 |
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| SMILES | O=S(=O)(O)Oc1cc2ccc3cccc4ccc(c1O)c2c34 |
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| InChI Key | GQMQJOORKKBXMR-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 | pyrenes |
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| Subclass | pyrenes |
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| Direct Parent | pyrenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | arylsulfateshydrocarbon derivativesnaphthols and derivativesorganic oxidesorganooxygen compoundsphenanthrolssulfuric acid monoesters |
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| Substituents | phenanthrenesulfuric acid monoesterorganic sulfuric acid or derivativesphenanthrolaromatic homopolycyclic compoundpyreneorganic oxidenaphthaleneorganic oxygen compoundsulfate-esterhydrocarbon derivative1-naphtholarylsulfatesulfuric acid ester2-naphtholorganooxygen compound |
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