| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:17 UTC |
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| Update Date | 2025-03-21 17:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009156 |
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| Frequency | 528.9 |
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| Structure | |
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| Chemical Formula | C6H6O2 |
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| Molecular Mass | 110.0368 |
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| SMILES | O=CCc1ccco1 |
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| InChI Key | LNKQTTQZURKWDO-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 | alpha-hydrogen aldehydesheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | furancarbonyl grouparomatic heteromonocyclic compoundheteroaromatic compoundaldehydeoxacycleorganic oxideorganic oxygen compoundalpha-hydrogen aldehydehydrocarbon derivativeorganooxygen compound |
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