| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:12 UTC |
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| Update Date | 2025-03-21 18:31:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084238 |
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| Frequency | 34.1 |
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| Structure | |
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| Chemical Formula | C11H10N2OS |
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| Molecular Mass | 218.0514 |
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| SMILES | Oc1ccc2[nH]cc(CCN=C=S)c2c1 |
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| InChI Key | NRDRZOAJGJVZSV-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesisothiocyanatesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | isothiocyanateazacycleindoleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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