| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:56 UTC |
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| Update Date | 2025-03-25 00:46:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153327 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO2 |
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| Molecular Mass | 201.079 |
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| SMILES | COc1ccc2[nH]cc3c2c1CCC3=O |
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| InChI Key | UWMDNDBLCWANHP-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 | isoindoles and derivatives |
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| Subclass | isoindolines |
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| Direct Parent | isoindolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesisoindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | phenol etheretheraryl alkyl ketoneindolealkyl aryl etherketoneisoindoloneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleisoindoleheteroaromatic compoundindole or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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