| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:15 UTC |
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| Update Date | 2025-03-21 18:38:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120576 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O5PS+ |
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| Molecular Mass | 357.0669 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1Cc1ccc(C(N)=O)cc1 |
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| InChI Key | MIIPCJQVTQFTHO-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundbenzoylcarboxylic acid derivativebenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compoundcarboxamide group4,5-disubstituted 1,3-thiazoleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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