| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:26 UTC |
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| Update Date | 2025-03-21 18:42:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137343 |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C9H9NO |
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| Molecular Mass | 147.0684 |
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| SMILES | OC1C=Nc2ccccc2C1 |
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| InChI Key | RRKVYKZXPIGNGJ-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 | Not Available |
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| Subclass | benzenoids |
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| Direct Parent | benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundshydrocarbon derivativesiminesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholazacycleimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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