| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:34 UTC |
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| Update Date | 2025-03-25 00:59:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239117 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O7PS+ |
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| Molecular Mass | 387.041 |
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| SMILES | NC(=O)c1ccc(C[n+]2csc(CCOP(=O)(O)O)c2C(=O)O)cc1 |
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| InChI Key | VUBYKIDBTZEPTM-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 acidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidesthiazolecarboxylic acids and derivatives |
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| Substituents | primary carboxylic acid amidecarboxylic acidaromatic heteromonocyclic compoundbenzoylcarboxylic acid derivativethiazolecarboxylic acid or derivativesbenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compoundcarboxamide group4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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