| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:39 UTC |
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| Update Date | 2025-03-25 01:01:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246314 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O5 |
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| Molecular Mass | 262.0841 |
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| SMILES | CC1=CC(=O)CCC1C(=O)c1c(O)cc(O)cc1O |
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| InChI Key | GBYBIVXXEWWWLV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacylphloroglucinols and derivativesaryl alkyl ketonesbenzoyl derivativescyclohexenoneshydrocarbon derivativesorganic oxidesvinylogous acids |
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| Substituents | acylphloroglucinol derivativecyclohexenonemonocyclic benzene moietyaryl alkyl ketonebenzenetriolbenzoyl1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidphloroglucinol derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidephenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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