| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:00 UTC |
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| Update Date | 2025-03-21 18:33:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098071 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C12H11NO4 |
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| Molecular Mass | 233.0688 |
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| SMILES | O=C(O)c1c(O)cccc1NCc1ccco1 |
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| InChI Key | CALSGYQSHBSDRC-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 heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acidsbenzoic acidsbenzoyl derivativesfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminesvinylogous acidsvinylogous amides |
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| Substituents | furancarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundvinylogous amideheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidsecondary aminesecondary aliphatic/aromatic amineoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminephenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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