| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:09 UTC |
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| Update Date | 2025-03-25 01:01:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247488 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO2S |
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| Molecular Mass | 239.098 |
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| SMILES | Cc1ccc2c(c1)C(C)(C)CN(C)S2(=O)=O |
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| InChI Key | ZFOCJCQEWMKCGU-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 | 1,2-thiazinesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesazacyclebenzothiazineorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundortho-thiazine |
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