| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:13 UTC |
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| Update Date | 2025-03-25 01:01:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252171 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N5O2S2 |
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| Molecular Mass | 351.0824 |
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| SMILES | NC(N)=Nc1nc(CSCCNc2ccccc2C(=O)O)cs1 |
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| InChI Key | WDQHCNDEGKFTAE-UHFFFAOYSA-N |
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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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2,4-disubstituted thiazolesamino acidsazacyclic compoundsbenzoyl derivativesdialkylthioethersguanidinesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminespropargyl-type 1,3-dipolar organic compoundssecondary alkylarylaminessulfenyl compoundsvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidguanidinebenzoylorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundazolevinylogous amidesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazolephenylalkylaminehydrocarbon derivativeorganic nitrogen compoundthiazoleamineorganooxygen compound |
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