| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:49 UTC |
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| Update Date | 2025-03-25 00:54:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207673 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20O9 |
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| Molecular Mass | 392.1107 |
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| SMILES | O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OCOC(=O)c1cccc(O)c1 |
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| InChI Key | JPEDQMVGLOWLRF-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 benzenoidsacetalsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidespyrogallols and derivativessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideacetalm-hydroxybenzoic acid esteralcoholpyrogallol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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