| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:29 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16N2O4 |
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| Molecular Mass | 288.111 |
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| SMILES | O=C(O)c1ccccc1C(=O)OCCCCn1ccnc1 |
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| InChI Key | FCGONUFBQTUMRT-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 | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundbenzoylbenzoate estercarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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