| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:14 UTC |
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| Update Date | 2025-03-25 00:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222712 |
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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 | O=S1(=O)c2ccccc2C(O)N1Cc1ccccc1 |
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| InChI Key | FTUGSUCVMHLDMN-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 | benzothiazoles |
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| Subclass | benzothiazoles |
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| Direct Parent | benzothiazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkanolaminesazacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyazacycle1,2-benzothiazoleorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundalkanolamine |
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