| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:16 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185913 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17NO2 |
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| Molecular Mass | 279.1259 |
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| SMILES | O=C(CCCc1c[nH]c2ccccc12)c1ccc(O)cc1 |
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| InChI Key | YWRDFVFTTKHLLZ-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbutyrophenonesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrroles |
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| Substituents | monocyclic benzene moietyaryl alkyl ketoneindolebenzoyl1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesbutyrophenonepyrrolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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