| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:39 UTC |
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| Update Date | 2025-03-25 00:50:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179978 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O5 |
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| Molecular Mass | 254.1154 |
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| SMILES | COc1cc(CCC(O)CC(=O)CO)ccc1O |
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| InChI Key | LXHUHFCWJFYYGI-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 benzenoidsalkyl aryl ethersalpha-hydroxy ketonesanisolesbeta-hydroxy ketonesfatty alcoholshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonephenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha-hydroxy ketoneketoneorganic oxidefatty alcoholalcoholmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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