| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:34 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182106 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO2S |
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| Molecular Mass | 221.051 |
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| SMILES | O=C(O)C1SCC2c3ccccc3NC12 |
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| InChI Key | HVSPRMNPXVJSSV-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylaminesthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic acidamino acid or derivativesamino acidindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydroindoleazacycledialkylthioethersecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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