| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:12 UTC |
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| Update Date | 2025-03-25 00:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222643 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11O10S+ |
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| Molecular Mass | 347.0067 |
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| SMILES | O=S(=O)(O)OCOc1cc(-c2ccc(O)c(O)c2)[o+]c(O)c1O |
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| InChI Key | ZLVKEHJNCNBRML-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativeorganic cationsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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