| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:23:14 UTC |
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| Update Date | 2025-03-24 20:02:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01113620 |
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| Frequency | 1.2 |
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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)c(C(N)=O)o1 |
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| InChI Key | BSVKHYOCCDWNOE-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 acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefuroic acid or derivativesaromatic heteromonocyclic compoundheteroaromatic compoundcarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamideoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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