| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:53:35 UTC |
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| Update Date | 2025-03-24 20:04:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01331971 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H7NO2 |
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| Molecular Mass | 137.0477 |
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| SMILES | O=c1c2c(c1=O)NCCC2 |
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| InChI Key | DPKAJLDWLFWVBS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amideazacyclesecondary aliphatic/aromatic amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganopnictogen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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