| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:39 UTC |
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| Update Date | 2025-03-25 00:46:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO3 |
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| Molecular Mass | 243.0895 |
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| SMILES | Cc1ccc(COc2ccc(C(=O)O)cc2)cn1 |
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| InChI Key | CVQQFSDIBDKQRH-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsbenzoyl derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspolyhalopyridines |
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| Substituents | phenol etherethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinebenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinebenzoic acidorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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