| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:02:51 UTC |
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| Update Date | 2025-03-21 18:07:23 UTC |
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| HMDB ID | HMDB0249074 |
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| Metabolite Identification |
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| DeepMet ID | DMID00068982 |
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| Name | Benzyl nicotinate |
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| Frequency | 43.8 |
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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)c1cccnc1 |
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| InChI Key | KVYGGMBOZFWZBQ-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 | azacyclic compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridine-3-carboxylic acids |
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| Substituents | benzyloxycarbonylpyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacyclepyridine-3-carboxylic acidheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterpyridine carboxylic acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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