| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:03 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148883 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22O5 |
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| Molecular Mass | 330.1467 |
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| SMILES | COc1cc(CCCCCOC(=O)c2ccccc2O)ccc1O |
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| InChI Key | ZAJLSORILATEGJ-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 | o-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 compoundssalicylic acid and derivativesvinylogous acids |
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| Substituents | phenol etheretherbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxide1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esteranisolecarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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