| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:58 UTC |
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| Update Date | 2025-03-25 00:50:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182981 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O9S |
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| Molecular Mass | 336.0515 |
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| SMILES | O=S(=O)(O)Oc1cc(CC2CC(O)C(O)C(O)O2)ccc1O |
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| InChI Key | JECLWYRKYWZLMO-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-diols1-hydroxy-2-unsubstituted benzenoidshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidphenylsulfateoxacycleorganic oxideorganic oxygen compoundsecondary alcoholsulfate-esterphenolhemiacetalhydrocarbon derivativebenzenoidphenoxy compoundoxanesulfuric acid esterorganoheterocyclic compoundorganooxygen compound1,2-diol |
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