| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:58 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153409 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO2 |
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| Molecular Mass | 227.0946 |
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| SMILES | COc1ccc2c(c1)CCn1c-2cccc1=O |
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| InChI Key | PDKYJWXMTWFPHQ-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 | quinolizines |
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| Subclass | quinolizines |
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| Direct Parent | quinolizines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridinones |
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| Substituents | phenol etheretherlactamazacycleheteroaromatic compoundmethylpyridinealkyl aryl etherorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundpyridinoneorganooxygen compoundquinolizine |
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