| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:08 UTC |
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| Update Date | 2025-03-21 18:32:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088704 |
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| Frequency | 31.9 |
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| Structure | |
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| Chemical Formula | C8H8O2 |
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| Molecular Mass | 136.0524 |
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| SMILES | CC=CC(=O)c1ccco1 |
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| InChI Key | MBPQFJYWPJZUDP-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 | alpha,beta-unsaturated ketonesaryl ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | furoic acid or derivativesaromatic heteromonocyclic compoundheteroaromatic compoundalpha,beta-unsaturated ketoneketoneoxacycleorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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