| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:19 UTC |
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| Update Date | 2025-03-25 00:50:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183760 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O8 |
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| Molecular Mass | 340.1158 |
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| SMILES | O=C1CCC(C(O)CCC(O)COC(=O)c2ccc(O)cc2O)O1 |
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| InChI Key | GWMMQDCVTIPMDL-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 | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsresorcinolssalicylic acid and derivativessecondary alcoholstetrahydrofuransvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinollactoneorganic oxideorganoheterocyclic compoundalcoholtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl estergamma butyrolactoneoxacyclevinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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