| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:48 UTC |
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| Update Date | 2025-03-25 00:51:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189490 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO2S |
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| Molecular Mass | 299.098 |
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| SMILES | CC(CCN1c2ccccc2Sc2ccccc21)C(=O)O |
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| InChI Key | YCWZXLOFBKQXBY-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 | phenothiazines |
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| Direct Parent | phenothiazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-thiazinesamino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiarylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstertiary alkylarylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundtertiary aminediarylthioetherphenothiazinepara-thiazineazacycleamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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