| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:46:54 UTC |
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| Update Date | 2025-03-21 21:57:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00454317 |
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| Frequency | 3.9 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | CC(=O)c1occ(C)c1O |
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| InChI Key | PFAKJWDYEWRAKO-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 | aryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsvinylogous acids |
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| Substituents | furoic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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