| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:19:45 UTC |
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| Update Date | 2025-03-24 14:16:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00817990 |
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| Frequency | 1.8 |
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| Structure | |
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| Chemical Formula | C6H7NO3 |
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| Molecular Mass | 141.0426 |
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| SMILES | Nc1ccc(CC(=O)O)o1 |
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| InChI Key | NGKOTABFDKRNQM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | furans |
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| Subclass | furans |
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| Direct Parent | furans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary amines |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidheteroaromatic compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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