| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:40:50 UTC |
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| Update Date | 2025-03-24 17:55:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01012436 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C6H5NOS |
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| Molecular Mass | 139.0092 |
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| SMILES | Cc1ccc(N=C=S)o1 |
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| InChI Key | KMRALHZVKDUWEG-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 | furans |
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| Subclass | furans |
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| Direct Parent | furans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | heteroaromatic compoundshydrocarbon derivativesisothiocyanatesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | furanisothiocyanatearomatic heteromonocyclic compoundheteroaromatic compoundorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundoxacycleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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