| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:11:04 UTC |
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| Update Date | 2025-03-21 23:09:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00653391 |
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| Frequency | 2.4 |
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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 | CNc1cccc(=O)o1 |
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| InChI Key | RZAFTUUJDPAFQJ-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 | heteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alkylarylamines |
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| Substituents | aromatic heteromonocyclic compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminelactoneoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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