| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:59:00 UTC |
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| Update Date | 2025-03-21 20:09:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00340693 |
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| Frequency | 5.6 |
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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 | CNc1ccc(C(=O)O)o1 |
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| InChI Key | WNDDMZPMPCCFON-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 | furoic acid and derivatives |
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| Direct Parent | furoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alkylarylamines |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidheteroaromatic compoundsecondary aminecarboxylic acid derivativefuroic acidsecondary aliphatic/aromatic amineoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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