| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:18 UTC |
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| Update Date | 2025-03-25 00:57:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222878 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10NO8PS |
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| Molecular Mass | 322.9865 |
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| SMILES | O=P(O)(O)OCc1c[nH]c2c(OS(=O)(=O)O)cccc12 |
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| InChI Key | PLTOCABDABIMCI-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 | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkyl phosphatesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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