| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:01 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201332 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O5 |
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| Molecular Mass | 316.1311 |
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| SMILES | COc1ccc(C(O)CC(=O)CCc2ccc(O)cc2)cc1O |
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| InChI Key | ZTOBYOANDYMQQZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholsbeta-hydroxy ketonesfatty alcoholshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholfatty acylbeta-hydroxy ketonephenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketoneorganic oxidefatty alcoholalcohol1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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