| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:57 UTC |
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| Update Date | 2025-03-25 00:46:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157879 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO5 |
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| Molecular Mass | 275.0794 |
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| SMILES | O=C(O)c1c(CNc2ccc(O)cc2)ccc(O)c1O |
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| InChI Key | BKPBIPZIMOMLBU-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 | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminesvinylogous acids |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acid1-hydroxy-4-unsubstituted benzenoidsecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminephenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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