| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:16 UTC |
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| Update Date | 2025-03-25 01:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11N5O2S |
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| Molecular Mass | 289.0633 |
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| SMILES | NS(=O)(=O)c1c[nH]c2ncnc(Nc3ccccc3)c12 |
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| InChI Key | DOBNROJDCPHIFT-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 | pyrrolo[2,3-d]pyrimidines |
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| Direct Parent | pyrrolo[2,3-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsorganosulfonamidespyrimidines and pyrimidine derivativespyrrolessecondary amines |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganosulfur compoundpyrimidineorganosulfonic acid amideorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamazacycleaminosulfonyl compoundheteroaromatic compoundsecondary aminesulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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