| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:02 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201381 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20O8 |
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| Molecular Mass | 376.1158 |
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| SMILES | COc1cc(CCC(=O)OCOC(=O)c2ccc(O)c(OC)c2)ccc1O |
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| InChI Key | WAQUIYHLNONHIB-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-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsp-hydroxybenzoic acid alkyl esters |
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| Substituents | fatty acylphenol ethercarbonyl groupetherp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxideacetalm-methoxybenzoic acid or derivativesmethoxybenzenep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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