| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:42 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237174 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16N2O3 |
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| Molecular Mass | 272.1161 |
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| SMILES | O=C(O)c1ccc(NCCC(O)c2ccccn2)cc1 |
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| InChI Key | UNZZGXWWCBCBJL-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-halopyridinesamino acidsaromatic alcoholsazacyclic compoundsbenzoyl derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alcoholssecondary alkylarylamines |
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| Substituents | aromatic alcoholcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinebenzoic acidorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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