| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:07 UTC |
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| Update Date | 2025-03-25 01:01:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251967 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O7S |
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| Molecular Mass | 318.0773 |
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| SMILES | O=S(=O)(O)Oc1cccc(CC2CCC(C(O)CO)O2)c1 |
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| InChI Key | WUFRJULOSOTJJE-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsdialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsprimary alcoholssecondary alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoesteretheraromatic heteromonocyclic compoundtetrahydrofurandialkyl etherphenylsulfateoxacycleorganic oxideorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterprimary alcoholorganoheterocyclic compoundorganooxygen compound1,2-diol |
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