| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:23 UTC |
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| Update Date | 2025-03-25 00:46:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154401 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H22O9 |
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| Molecular Mass | 406.1264 |
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| SMILES | COc1cc(CC(O)CCC(=O)OCOC(=O)c2ccc(O)c(O)c2)ccc1O |
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| InChI Key | AJEVAHXUSJBOFP-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 benzenoidsacetalsalkyl aryl ethersanisolesbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundssecondary alcoholsp-hydroxybenzoic acid alkyl esters |
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| Substituents | fatty acylphenol ethercarbonyl groupetherp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxideacetalm-hydroxybenzoic acid esteralcohol1-hydroxy-4-unsubstituted benzenoidmethoxybenzenep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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