| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:19 UTC |
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| Update Date | 2025-03-21 18:39:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125403 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C9H16N6O2S3 |
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| Molecular Mass | 336.0497 |
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| SMILES | NC(N)=Nc1cc(CSCCC(N)=NS(N)(=O)=O)cs1 |
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| InChI Key | YSWSEZDAKMZAJY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | organic sulfuric acids and derivatives |
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| Direct Parent | organic sulfuric acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amidinesdialkylthioethersguanidinesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthiophenes |
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| Substituents | organic sulfuric acid or derivativessulfenyl compoundaromatic heteromonocyclic compoundguanidinedialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundamidinethiopheneorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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