| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:30 UTC |
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| Update Date | 2025-03-21 18:28:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070532 |
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| Frequency | 42.6 |
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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 | Cc1cc(C(=O)O)c(N)o1 |
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| InChI Key | OQTVGZKTXHZSBD-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 acidsfuran-3-carboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminesvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidefuran-3-carboxylic acidheteroaromatic compoundfuroic acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundfuran-3-carboxylic acid or derivativesamineorganooxygen compound |
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