| 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 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200591 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO3S |
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| Molecular Mass | 289.0773 |
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| SMILES | COc1ccc(C2CSc3cc(O)ccc3N2)cc1O |
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| InChI Key | IRVSTSKBQNQVOQ-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-thiazines1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkylarylthioethersanisolesazacyclic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganopnictogen compoundsphenoxy compoundssecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolbenzothiazinealkyl aryl etheralkylarylthioetheraryl thioetheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpara-thiazineazacycle1-hydroxy-4-unsubstituted benzenoidsecondary aminemethoxybenzenesecondary aliphatic/aromatic amineorganic oxygen compoundthioetheranisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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