| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:22 UTC |
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| Update Date | 2025-03-25 00:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16N2O2 |
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| Molecular Mass | 280.1212 |
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| SMILES | CC(C(=O)O)c1ccc(Cc2c[nH]c3ccncc23)cc1 |
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| InChI Key | JBWXIOMZOSLIRK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativesbicyclic monoterpenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrrolespyrrolopyridines |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupcarboxylic acidpolyhalopyridinep-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacyclepyrrolopyridineheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolehydrocarbon derivativebicyclic monoterpenoidbenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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