| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:38 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157215 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H7NO3 |
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| Molecular Mass | 213.0426 |
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| SMILES | O=C1NC(=O)c2c(O)ccc3cccc1c23 |
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| InChI Key | OCXQPUFABWAYFV-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativesn-unsubstituted carboxylic acid imidesnaphthols and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous acids |
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| Substituents | azacycle1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativecarboxylic acid imidevinylogous acidcarboxylic acid imide, n-unsubstitutedorganic oxidenaphthaleneorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compound2-naphtholorganooxygen compound |
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