| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:40 UTC |
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| Update Date | 2025-03-25 00:50:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180024 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO6PS+ |
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| Molecular Mass | 360.0665 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1CCc1ccc(O)cc1O |
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| InChI Key | FIKFCGCGCJTXRT-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4,5-disubstituted thiazolesazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidresorcinolorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoid4,5-disubstituted 1,3-thiazoleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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