| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:04 UTC |
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| Update Date | 2025-03-21 18:30:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081543 |
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| Frequency | 35.5 |
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| Structure | |
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| Chemical Formula | C13H11NO2 |
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| Molecular Mass | 213.079 |
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| SMILES | O=C(OCc1ccccc1)c1ccccn1 |
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| InChI Key | PNEBXWLVOMLIPS-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 | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridine-2-carboxylic acids |
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| Substituents | benzyloxycarbonylpyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridine-2-carboxylic acidpyridineorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundpyridine carboxylic acidorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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