| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:13 UTC |
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| Update Date | 2025-03-25 00:45:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149291 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14N2OS |
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| Molecular Mass | 186.0827 |
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| SMILES | CC(C)(C)c1[nH][nH]c(=S)c1CO |
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| InChI Key | XKCGMCCGKWJCEM-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 | pyrazoles |
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| Direct Parent | pyrazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsthiolactams |
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| Substituents | aromatic alcoholalcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganosulfur compoundpyrazoleorganic oxygen compoundthiolactamorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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