| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:36 UTC |
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| Update Date | 2025-03-25 00:56:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO6PS+ |
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| Molecular Mass | 374.0822 |
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| SMILES | COc1ccc(CC[n+]2csc(CCOP(=O)(O)O)c2C)cc1O |
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| InChI Key | FCOIRPYKFKGTIO-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 | methoxyphenols |
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| Direct Parent | methoxyphenols |
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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 thiazolesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzene4,5-disubstituted 1,3-thiazoleorganic oxygen compoundphosphoric acid esteranisolemonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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