| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:44 UTC |
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| Update Date | 2025-03-25 00:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14N2O5 |
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| Molecular Mass | 302.0903 |
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| SMILES | Cc1ncc(COC(=O)c2ccccc2N)c(C(=O)O)c1O |
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| InChI Key | NDDMCCDPFIEBJP-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 acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesamino acidsazacyclic compoundsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyridinecarboxylic acidsvinylogous acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpolyhalopyridinebenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinevinylogous acidpyridineorganic oxygen compoundcarboxylic acid esterpyridine carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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