| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:11 UTC |
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| Update Date | 2025-03-25 00:51:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185721 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16ClN7O3S |
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| Molecular Mass | 385.0724 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(S(N)(=O)=O)cc1Cl)N2 |
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| InChI Key | LUXYQSJOABCRDD-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 | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesphenylalkylaminesprimary aminespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganochloridepyrimidoneorganosulfur compoundorganohalogen compoundpyrimidineorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenevinylogous amidepterinbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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