| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:28:34 UTC |
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| Update Date | 2025-03-24 20:46:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01559047 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | CC(=O)c1cc(CN)co1 |
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| InChI Key | OGLMTERLETXNED-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 | furoic acid and derivatives |
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| Direct Parent | furoic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | furoic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundketoneoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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