| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:59 UTC |
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| Update Date | 2025-03-21 18:05:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055003 |
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| Frequency | 58.3 |
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| Structure | |
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| Chemical Formula | C18H16O5 |
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| Molecular Mass | 312.0998 |
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| SMILES | COc1cc(C=CC(=O)CC(=O)c2ccc(O)cc2)ccc1O |
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| InChI Key | MTSVXXUYSZWHIW-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 benzenoidsacryloyl compoundsalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonesenoneshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonehydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxideenonemethoxybenzenehydroxycinnamic acidbutyrophenonearomatic homomonocyclic compoundanisolephenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundalkyl-phenylketone |
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