| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:42 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237175 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14N2O2S |
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| Molecular Mass | 298.0776 |
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| SMILES | O=C(O)c1ccc(NCC2=Nc3ccccc3SC2)cc1 |
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| InChI Key | ZNMGNCHEDLSUKG-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-thiazinesalkylarylthioethersamino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminespropargyl-type 1,3-dipolar organic compoundssecondary alkylarylamines |
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| Substituents | ketiminemonocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidiminebenzoylbenzothiazinealkylarylthioethercarboxylic acid derivativearyl thioetherpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzoic acidpara-thiazineazacyclebenzoic acid or derivativesorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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