| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:09:55 UTC |
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| Update Date | 2025-03-21 23:09:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00650833 |
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| Frequency | 2.4 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | O=C(O)C1=COC=CC1 |
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| InChI Key | LSRFRVPMYMYNJL-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 | pyrans |
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| Subclass | pyrans |
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| Direct Parent | pyrans |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous esters |
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| Substituents | carbonyl groupcarboxylic acidvinylogous estercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyranaliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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