| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:51 UTC |
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| Update Date | 2025-03-25 00:50:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182722 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10N2O3 |
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| Molecular Mass | 218.0691 |
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| SMILES | O=CCC1(c2ccccc2)N=C(O)N=C1O |
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| InChI Key | CQFHYETUHWWKKN-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 heteromonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesazacyclic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundazacyclealdehydeorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundalpha-hydrogen aldehydeimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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