| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:38 UTC |
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| Update Date | 2025-03-25 00:56:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219006 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22N2O3S |
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| Molecular Mass | 358.1351 |
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| SMILES | COc1ccc(C2CN(CCC(N)C(=O)O)c3ccccc3S2)cc1 |
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| InChI Key | MKMWOUZAEHSCRK-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 ethersalkylarylthioethersalpha amino acidsamino acidsamino fatty acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesfatty acylshydrocarbon derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidbenzothiazinealpha-amino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylaminetertiary aminepara-thiazineazacycleamino fatty acidmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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