| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:23:08 UTC |
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| Update Date | 2025-03-24 20:43:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01545934 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C7H7NO2 |
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| Molecular Mass | 137.0477 |
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| SMILES | CC(=O)N=Cc1ccco1 |
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| InChI Key | XEOMYVLZOPBKPV-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 | carbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-acyliminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | n-acyliminefurancarbonyl grouparomatic heteromonocyclic compoundheteroaromatic compoundorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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