| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:20 UTC |
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| Update Date | 2025-03-21 18:36:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108745 |
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| Frequency | 24.6 |
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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 | S=C=NCc1ccco1 |
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| InChI Key | ICXYINJACKJQQV-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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