| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:09:42 UTC |
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| Update Date | 2025-03-24 16:41:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00937781 |
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| Frequency | 1.5 |
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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 | Oc1ccc2c(c1)OCN2 |
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| InChI Key | RLJQRYGFNPYXDP-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 | benzoxazolines |
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| Subclass | benzoxazolines |
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| Direct Parent | benzoxazolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alkylarylamines |
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| Substituents | azacyclebenzoxazoline1-hydroxy-2-unsubstituted benzenoidsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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