| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:10:00 UTC |
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| Update Date | 2025-03-24 16:42:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00938519 |
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| Frequency | 1.5 |
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| Structure | |
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| Chemical Formula | C7H6O3 |
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| Molecular Mass | 138.0317 |
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| SMILES | O=CCC(=O)c1ccco1 |
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| InChI Key | YLUGRUUXCYVTKO-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 | alpha-hydrogen aldehydesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupfuroic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundaldehydeketoneoxacycleorganic oxideorganic oxygen compoundalpha-hydrogen aldehydehydrocarbon derivativeorganooxygen compoundaryl ketone |
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