| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:31 UTC |
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| Update Date | 2025-03-25 00:59:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236764 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO5PS+ |
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| Molecular Mass | 358.0873 |
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| SMILES | COc1cccc(CC[n+]2csc(CCOP(=O)(O)O)c2C)c1 |
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| InChI Key | NVYXDWTVSLANNB-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietyetheraromatic heteromonocyclic compoundalkyl aryl etherorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compoundmethoxybenzene4,5-disubstituted 1,3-thiazoleorganic oxygen compoundphosphoric acid esteranisolemonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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