| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:10 UTC |
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| Update Date | 2025-03-25 00:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222585 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O7S |
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| Molecular Mass | 350.046 |
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| SMILES | O=C1OC(Cc2cccc(OS(=O)(=O)O)c2)Cc2ccc(O)cc21 |
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| InChI Key | ONBHZXDUKDJKBG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-benzopyranscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactonephenylsulfateorganic oxidearomatic heteropolycyclic compoundisochromaneorganoheterocyclic compoundbenzopyranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid ester2-benzopyransulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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