| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:14:24 UTC |
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| Update Date | 2025-03-21 20:50:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00376749 |
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| Frequency | 4.9 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | Cc1cc(C(N)=O)c(C)o1 |
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| InChI Key | ZDQXLTJASRPRTA-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 | furan-3-carboxylic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundfuran-3-carboxylic acid or derivativesorganooxygen compound |
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