| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:04 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151271 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H19N4O4S+ |
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| Molecular Mass | 399.1122 |
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| SMILES | Cc1ncc(C[n+]2csc(COC(=O)c3ccccc3C(=O)O)c2C)c(N)n1 |
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| InChI Key | DRWSTXIXILUUSU-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds4,5-disubstituted thiazolesamino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylbenzoate estercarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic cationbenzoic acidimidolactamorganoheterocyclic compoundazoleazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleamineorganooxygen compound |
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