| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:47 UTC |
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| Update Date | 2025-03-25 00:46:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155349 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O2 |
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| Molecular Mass | 230.1055 |
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| SMILES | Cc1ccccc1C(=O)OCCn1ccnc1 |
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| InChI Key | VAXCONOXANBIHT-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 derivativescarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstoluenes |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundbenzoylbenzoate estercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazolecarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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