| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:02:03 UTC |
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| Update Date | 2025-03-21 18:56:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00208906 |
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| Frequency | 10.6 |
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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 | Cc1occc(=O)c1N |
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| InChI Key | XAVQSBUAGVFJDT-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 derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary amines |
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| Substituents | aromatic heteromonocyclic compoundheteroaromatic compoundcyclic ketoneoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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