| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:55 UTC |
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| Update Date | 2025-03-21 18:35:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105228 |
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| Frequency | 25.7 |
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| Structure | |
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| Chemical Formula | C10H11NO2 |
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| Molecular Mass | 177.079 |
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| SMILES | COc1ccc2c(c1)CCNC2=O |
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| InChI Key | WLQWIZAWNPYMBR-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 | isoquinolines and derivatives |
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| Subclass | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | phenol etheretherlactamazacyclealkyl aryl ethercarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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