| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:16 UTC |
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| Update Date | 2025-03-25 00:54:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204146 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO3S |
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| Molecular Mass | 275.0616 |
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| SMILES | Oc1ccc2c(c1)SCC(c1ccc(O)c(O)c1)N2 |
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| InChI Key | IEHUKDMFDRVZEP-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 | benzothiazines |
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| Subclass | benzothiazines |
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| Direct Parent | benzothiazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-thiazines1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylarylthioethersazacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | monocyclic benzene moietypara-thiazineazacycle1-hydroxy-2-unsubstituted benzenoidbenzothiazine1-hydroxy-4-unsubstituted benzenoidsecondary aminealkylarylthioetheraryl thioethersecondary aliphatic/aromatic amineorganic oxygen compoundaromatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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