| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:05 UTC |
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| Update Date | 2025-03-21 18:00:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026854 |
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| Frequency | 141.9 |
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| Structure | |
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| Chemical Formula | C11H10N2S |
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| Molecular Mass | 202.0565 |
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| SMILES | S=C=NCCc1c[nH]c2ccccc12 |
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| InChI Key | JILSJIQENRELKK-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 compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesisothiocyanatesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | isothiocyanateazacycleindoleheteroaromatic compoundorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compound |
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