| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:28:38 UTC |
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| Update Date | 2025-03-21 20:56:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00410733 |
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| Frequency | 4.4 |
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| Structure | |
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| Chemical Formula | C6H5NO2 |
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| Molecular Mass | 123.032 |
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| SMILES | O=c1cc[nH]c(=O)cc1 |
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| InChI Key | XPFSMDZLNJRDNP-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 | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcyclic ketoneorganic oxideazepineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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