| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:11 UTC |
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| Update Date | 2025-03-25 00:52:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194734 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O2 |
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| Molecular Mass | 260.1525 |
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| SMILES | CCN(CC)CCOC(=O)c1ccc2cc[nH]c2c1 |
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| InChI Key | MGRLDZWUNAQPJS-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 | indoles and derivatives |
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| Subclass | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzenoidscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrolestrialkylamines |
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| Substituents | amino acid or derivativesindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amineazacycleheteroaromatic compoundtertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundindolecarboxylic acidcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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