| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:34 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186643 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O2 |
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| Molecular Mass | 228.0899 |
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| SMILES | Nc1ccc(C(=O)OCc2cccnc2)cc1 |
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| InChI Key | FKLBHRWLARCDEW-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 | amino acids and derivativesazacyclic compoundsbenzoyl derivativescarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyridines and derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacycleamino acid or derivativesheteroaromatic compoundbenzoylbenzoate estercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganoheterocyclic compoundorganooxygen compound |
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