| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:05 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O5S2 |
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| Molecular Mass | 293.014 |
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| SMILES | NS(=O)(=O)c1cc2c(cc1S(N)(=O)=O)OCCN2 |
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| InChI Key | BRWKYBRTVPCRTM-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 | benzoxazines |
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| Subclass | benzoxazines |
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| Direct Parent | benzoxazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsazacyclic compoundsbenzenoidsbenzomorpholineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesoxacyclic compoundssecondary alkylarylamines |
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| Substituents | organosulfonic acid or derivativesetheralkyl aryl etherorganosulfur compoundbenzomorpholineorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleaminosulfonyl compoundbenzoxazinesecondary amineoxazinanesecondary aliphatic/aromatic amineoxacyclemorpholinesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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