| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:26 UTC |
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| Update Date | 2025-03-25 00:47:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158969 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9NOS |
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| Molecular Mass | 227.0405 |
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| SMILES | Oc1ccccc1-c1nc2ccccc2s1 |
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| InChI Key | MVVGSPCXHRFDDR-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsthiazoles |
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| Substituents | 1,3-benzothiazolemonocyclic benzene moietyazacycleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundthiazoleorganooxygen compoundazole |
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