| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:05 UTC |
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| Update Date | 2025-03-25 00:50:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183253 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O9 |
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| Molecular Mass | 364.0794 |
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| SMILES | O=C(OC(C(=O)O)C(O)Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1 |
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| InChI Key | LKXFWSLGPCHJPC-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 benzenoidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholsp-hydroxybenzoic acid alkyl esters |
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| Substituents | carbonyl groupcarboxylic acidp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidem-hydroxybenzoic acid esteralcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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