| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:29 UTC |
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| Update Date | 2025-03-21 18:29:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077756 |
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| Frequency | 37.7 |
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| Structure | |
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| Chemical Formula | C13H11NO5 |
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| Molecular Mass | 261.0637 |
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| SMILES | O=C(O)c1ccc(NCc2ccco2)c(C(=O)O)c1 |
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| InChI Key | YTLFYCJSQFMWSA-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 | m-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativesfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminesvinylogous amides |
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| Substituents | furancarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundmeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundvinylogous amideheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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