| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:05 UTC |
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| Update Date | 2025-03-21 17:58:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017730 |
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| Frequency | 236.3 |
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| Structure | |
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| Chemical Formula | C12H11NO3 |
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| Molecular Mass | 217.0739 |
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| SMILES | O=C(O)c1ccc(NCc2ccco2)cc1 |
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| InChI Key | XFIBYCNKYOLPJO-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsbenzoyl derivativescarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | furancarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidorganoheterocyclic compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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