| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:05 UTC |
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| Update Date | 2025-03-21 18:05:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057607 |
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| Frequency | 55.0 |
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| Structure | |
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| Chemical Formula | C8H7NO3 |
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| Molecular Mass | 165.0426 |
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| SMILES | Nc1c(O)cccc1C(=O)C=O |
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| InChI Key | NKXOBDSLEMNDID-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 | phenylacetaldehydes |
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| Direct Parent | phenylacetaldehydes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha ketoaldehydesaryl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoidaldehyde1-hydroxy-4-unsubstituted benzenoidketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundaminealpha-ketoaldehydeorganooxygen compoundaryl ketonephenylacetaldehyde |
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