| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:15 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO9 |
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| Molecular Mass | 373.1373 |
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| SMILES | O=C(CCC(O)Cc1ccccn1)OC1OC(C(O)O)C(O)C(O)C1O |
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| InChI Key | PAULMZHLYITLBY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsazacyclic compoundscarbonyl compoundscarbonyl hydratescarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | carbonyl groupcarbonyl hydratearomatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridineoxacyclefatty acid estermonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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