| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:31:17 UTC |
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| Update Date | 2025-03-24 21:40:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01851656 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C8H7NO |
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| Molecular Mass | 133.0528 |
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| SMILES | O=CC=Nc1ccccc1 |
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| InChI Key | MRWBTWKITBCRLS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aldehydesaldimineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupiminealdehydeorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundaldimineorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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