| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:06 UTC |
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| Update Date | 2025-03-25 00:54:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203749 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO5S |
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| Molecular Mass | 323.0827 |
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| SMILES | O=C(O)CCCCC1Sc2ccccc2N(CC(=O)O)C1=O |
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| InChI Key | FEQKVVNLKHWQIG-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-thiazinesalkylarylthioethersalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acidbenzothiazinealpha-amino acid or derivativesalkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidpara-thiazineazacyclecarboxamide grouporganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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