| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:04 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160321 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO3 |
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| Molecular Mass | 231.0895 |
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| SMILES | Nc1c(O)cccc1C(=O)CCc1ccco1 |
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| InChI Key | WWBXNRXWUSFSPQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonesfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminesvinylogous amides |
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| Substituents | furanmonocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amideheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidbutyrophenoneoxacyclephenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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