| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:52 UTC |
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| Update Date | 2025-03-21 17:58:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012893 |
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| Frequency | 350.5 |
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| Structure | |
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| Chemical Formula | C10H12O4 |
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| Molecular Mass | 196.0736 |
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| SMILES | COc1cc(CC(=O)CO)ccc1O |
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| InChI Key | CSQGINGXEBQJPA-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 benzenoidsalcohols and polyolsalkyl aryl ethersalpha-hydroxy ketonesanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha-hydroxy ketonemethoxybenzeneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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