| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:20:38 UTC |
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| Update Date | 2025-03-24 22:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01968199 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H7NO2 |
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| Molecular Mass | 125.0477 |
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| SMILES | NCc1coccc1=O |
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| InChI Key | NIDKHSAPEKEGIY-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 | pyrans |
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| Subclass | pyranones and derivatives |
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| Direct Parent | pyranones and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | cyclic ketonesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aromatic heteromonocyclic compoundheteroaromatic compoundcyclic ketoneoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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