| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:50 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO2 |
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| Molecular Mass | 177.079 |
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| SMILES | NC(=O)CC1OCc2ccccc21 |
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| InChI Key | NWRQLQSAVXWXRG-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 | isocoumarans |
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| Subclass | isocoumarans |
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| Direct Parent | isocoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidscarbonyl compoundscarboxylic acids and derivativesdialkyl ethershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupethercarboxamide groupcarboxylic acid derivativedialkyl etheroxacycleorganic oxideisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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