| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:01 UTC |
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| Update Date | 2025-03-25 00:53:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198993 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O5 |
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| Molecular Mass | 198.0528 |
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| SMILES | O=C(O)CCCc1cc(C(=O)O)co1 |
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| InChI Key | SNIXDTHPTFSVBH-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfuran-3-carboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupfuran-3-carboxylic acidcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativefuroic acidoxacycleorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativefuran-3-carboxylic acid or derivativesorganooxygen compound |
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