| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:14 UTC |
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| Update Date | 2025-03-25 00:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154040 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16N2O4 |
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| Molecular Mass | 324.111 |
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| SMILES | COc1ccc2nccc(Nc3ccc(OCC(=O)O)cc3)c2c1 |
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| InChI Key | ICCFWTDFQXWTOL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspolyhalopyridinesquinolines and derivativessecondary amines |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidamino acid or derivativesamino acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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