| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:55 UTC |
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| Update Date | 2025-03-25 01:01:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249199 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO6 |
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| Molecular Mass | 279.0743 |
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| SMILES | COc1cc(C2C(C(=O)O)=C(O)C(=O)N2C)ccc1O |
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| InChI Key | GILARNFTZQHPIR-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 benzenoidsalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolespyrroline carboxylic acidstertiary carboxylic acid amidesvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundazacyclepyrroline carboxylic acid or derivatives2-phenylpyrrolinecarboxamide groupmethoxybenzenevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrroline carboxylic acidanisolepyrrolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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