| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:56 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155704 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O4 |
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| Molecular Mass | 180.0423 |
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| SMILES | CC(=O)C(=O)CC(=O)c1ccco1 |
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| InChI Key | RPXMMJMTVLTGOL-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-diketonesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupfuroic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundalpha-diketoneketoneoxacycleorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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