| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:47 UTC |
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| Update Date | 2025-03-25 00:50:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182575 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO7PS+ |
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| Molecular Mass | 362.0458 |
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| SMILES | O=P(O)(O)OCCc1sc[n+](Cc2ccc(O)c(O)c2)c1CO |
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| InChI Key | XNMNCLASSPPAIF-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | thiazoles |
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| Direct Parent | 4,5-disubstituted thiazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic alcoholmonocyclic benzene moietyaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationalcoholazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoid4,5-disubstituted 1,3-thiazoleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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