| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:42 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200590 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14N2OS |
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| Molecular Mass | 282.0827 |
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| SMILES | COc1ccc(C2CSc3ccc(C#N)cc3N2)cc1 |
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| InChI Key | ZAXRJJDBXWHPEX-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-thiazinesalkyl aryl ethersalkylarylthioethersanisolesazacyclic compoundshydrocarbon derivativesmethoxybenzenesnitrilesorganopnictogen compoundsphenoxy compoundssecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietyethernitrilebenzothiazinealkyl aryl etheralkylarylthioetheraryl thioetheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrilepara-thiazineazacyclesecondary aminemethoxybenzenesecondary aliphatic/aromatic amineorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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