| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:33 UTC |
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| Update Date | 2025-03-25 00:49:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22N2O5 |
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| Molecular Mass | 334.1529 |
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| SMILES | COc1cc(C2C(C(C)=O)=C(O)C(=O)N2CCN(C)C)ccc1O |
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| InChI Key | SGOAHANFJXQBPY-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 ethersamino acids and derivativesanisolesazacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativesketoneslactamsmethoxybenzenesmethoxyphenolsorganic oxidesorganopnictogen compoundsphenoxy compoundspyrrolestertiary carboxylic acid amidestrialkylaminesvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamaromatic heteromonocyclic compoundamino acid or derivatives1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundtertiary amineazacycletertiary aliphatic amine2-phenylpyrrolinecarboxamide groupmethoxybenzenevinylogous acidorganic oxygen compoundanisolepyrrolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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