| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:00 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153497 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO3 |
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| Molecular Mass | 233.1052 |
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| SMILES | COc1ccc(C=C2NCCC2=O)cc1OC |
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| InChI Key | MTOMLTREHXDXSU-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 | benzene and substituted derivatives |
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| Subclass | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscyclic ketonesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspyrrolidine-3-ones |
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| Substituents | phenol ethercarbonyl groupetheraromatic heteromonocyclic compound3-pyrrolidonecyclic ketonealkyl aryl etherketonedimethoxybenzeneorganic oxideo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundsecondary aliphatic amineazacyclesecondary amineorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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