| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:17 UTC |
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| Update Date | 2025-03-21 18:03:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046443 |
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| Frequency | 72.1 |
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| Structure | |
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| Chemical Formula | C9H7NO |
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| Molecular Mass | 145.0528 |
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| SMILES | N#Cc1ccc2c(c1)CCO2 |
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| InChI Key | QHTVULDSSWHXKV-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 | coumarans |
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| Subclass | coumarans |
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| Direct Parent | coumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzenoidshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | ethernitrilealkyl aryl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrilecoumaranorganooxygen compound |
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