| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:24 UTC |
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| Update Date | 2025-03-25 01:01:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250310 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9NO5 |
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| Molecular Mass | 235.0481 |
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| SMILES | O=C(O)Cc1c[nH]c2c(C(=O)O)c(O)ccc12 |
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| InChI Key | HEKMGJASTSHZFY-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 acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidscarbonyl compoundsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesvinylogous acidsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundindole or derivativesvinylogous acidorganic oxygen compoundsalicylic acid or derivativespyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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