| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:40 UTC |
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| Update Date | 2025-03-25 00:48:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170817 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14N2O4 |
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| Molecular Mass | 274.0954 |
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| SMILES | COC(=O)c1ccccc1C(=O)OCCc1cnc[nH]1 |
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| InChI Key | XCTDNNPZJUDNHQ-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 | azacyclic compoundsbenzoyl derivativesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmethyl estersorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundbenzoylbenzoate estercarboxylic acid derivativeorganic oxidemethyl esterorganic oxygen compoundimidazolecarboxylic acid esterorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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