| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:18:25 UTC |
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| Update Date | 2025-03-24 14:16:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00814685 |
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| Frequency | 1.8 |
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| Structure | |
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| Chemical Formula | C6H6N2S |
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| Molecular Mass | 138.0252 |
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| SMILES | Cc1ncsc1CC#N |
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| InChI Key | XVBUWDYLAGXYNP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | thiazoles |
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| Direct Parent | 4,5-disubstituted thiazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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