| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:23 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238708 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H15NO4 |
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| Molecular Mass | 297.1001 |
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| SMILES | O=C(O)C1N=C(c2ccc(O)cc2)CC1c1ccc(O)cc1 |
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| InChI Key | KEWLSVVEWNCCAS-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 benzenoidsalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrroline 2-carboxylic acids |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundimine3-phenylpyrroline1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundazacyclepyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundpyrroline 2-carboxylic acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrroline carboxylic acidpyrrolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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