| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:12 UTC |
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| Update Date | 2025-03-25 01:00:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242865 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO |
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| Molecular Mass | 199.0997 |
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| SMILES | C=CC(=O)Cc1c[nH]c2ccc(C)cc12 |
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| InChI Key | SHASAZNUMKDKBC-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acryloyl compoundsazacyclic compoundsbenzenoidsenonesheteroaromatic compoundshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupazacycleindoleheteroaromatic compoundalpha,beta-unsaturated ketoneketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidacryloyl-grouporganic nitrogen compoundorganooxygen compoundenone |
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