| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:17 UTC |
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| Update Date | 2025-03-25 00:58:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233932 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | C=CC(=O)Cc1c(C)oc(CC(=O)O)c1C |
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| InChI Key | AITUIACFSITXCU-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 | acryloyl compoundscarboxylic acidsenonesheteroaromatic compoundshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundalpha,beta-unsaturated ketonecarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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