| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:50 UTC |
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| Update Date | 2025-03-25 00:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178164 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15N3O4 |
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| Molecular Mass | 301.1063 |
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| SMILES | Cc1ncc(CCOC(=O)c2ccccc2C(=O)O)c(N)n1 |
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| InChI Key | ACXRUZORGYQIRZ-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 compoundsamino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylbenzoate estercarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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