| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:33 UTC |
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| Update Date | 2025-03-25 00:47:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161412 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O2S |
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| Molecular Mass | 278.1089 |
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| SMILES | NCCSCc1[nH]c2ccccc2c1CCC(=O)O |
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| InChI Key | ZOJONDRPXZNADK-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidindoleorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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