| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:47 UTC |
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| Update Date | 2025-03-25 01:02:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253412 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N4O2S |
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| Molecular Mass | 198.0211 |
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| SMILES | Nc1ncnc2c(S(=O)O)c[nH]c12 |
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| InChI Key | IYLIANZIAZNRFR-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 | pyrrolopyrimidines |
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| Subclass | pyrrolopyrimidines |
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| Direct Parent | pyrrolopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsorganosulfur compoundsprimary aminespyrimidines and pyrimidine derivativespyrrolessulfinic acids |
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| Substituents | azacyclesulfinic acid derivativeheteroaromatic compoundorganosulfur compoundsulfinic acidpyrimidinepyrrolopyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamine |
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