| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:03 UTC |
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| Update Date | 2025-03-25 00:56:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO5 |
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| Molecular Mass | 249.0637 |
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| SMILES | CC(=O)C1=C(O)C(=O)NC1c1ccc(O)c(O)c1 |
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| InChI Key | AZLCEWULFVTUPH-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 | pyrrolines |
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| Subclass | phenylpyrrolines |
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| Direct Parent | phenylpyrrolines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativeshydrocarbon derivativesketoneslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compoundazacycle2-phenylpyrroline1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsecondary carboxylic acid amidevinylogous acidorganic oxygen compoundpyrrolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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