| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:20 UTC |
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| Update Date | 2025-03-21 18:28:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072516 |
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| Frequency | 41.2 |
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| Structure | |
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| Chemical Formula | C14H10O5S |
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| Molecular Mass | 290.0249 |
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| SMILES | O=S(=O)(O)Oc1ccc2c(ccc3cc(O)ccc32)c1 |
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| InChI Key | VKHQSTCINHGPMT-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 | phenanthrols |
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| Direct Parent | phenanthrols |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsarylsulfateshydrocarbon derivativesnaphthols and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesphenanthrol1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundorganic oxidenaphthaleneorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid ester2-naphtholorganooxygen compound |
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