| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:59 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249338 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O6 |
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| Molecular Mass | 318.1103 |
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| SMILES | COc1cc(CC(O)COC(=O)c2cccc(O)c2)ccc1O |
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| InChI Key | FTTAYWAVYDYXAM-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | m-hydroxybenzoic acid esters |
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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 ethersanisolesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | phenol etheretherbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidem-hydroxybenzoic acid esteralcohol1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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