| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:31 UTC |
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| Update Date | 2025-03-21 17:58:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012037 |
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| Frequency | 380.3 |
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| Structure | |
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| Chemical Formula | C8H10O2 |
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| Molecular Mass | 138.0681 |
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| SMILES | CCc1ccc(C(C)=O)o1 |
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| InChI Key | XTEXFYLWOKPGFE-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 compounds |
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| Substituents | furoic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundketoneoxacycleorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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