| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:51:54 UTC |
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| Update Date | 2025-03-21 18:52:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00185738 |
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| Frequency | 12.3 |
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| Structure | |
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| Chemical Formula | C6H5NO2 |
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| Molecular Mass | 123.032 |
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| SMILES | N#Cc1ccc(CO)o1 |
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| InChI Key | XAOLIZQQNMUXQB-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 | aromatic alcoholsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aromatic alcoholalcoholfurannitrilearomatic heteromonocyclic compoundheteroaromatic compoundoxacycleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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