| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:36 UTC |
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| Update Date | 2025-03-25 00:56:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218906 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H19NO4S |
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| Molecular Mass | 345.1035 |
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| SMILES | COc1ccc(C2Sc3ccccc3N(C)C2C(=O)O)cc1OC |
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| InChI Key | UOWDQIIYGCPORI-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 acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidbenzothiazinealpha-amino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherdimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineo-dimethoxybenzenealpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary aminepara-thiazineazacyclemethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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