| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:53 UTC |
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| Update Date | 2025-03-21 18:04:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050233 |
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| Frequency | 65.4 |
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| Structure | |
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| Chemical Formula | C11H10O5S |
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| Molecular Mass | 254.0249 |
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| SMILES | O=S(=O)(O)OCOc1cccc2ccccc12 |
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| InChI Key | IYOWJRPQOIZUJR-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenol etherssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homopolycyclic compoundorganic oxidenaphthaleneorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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