| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:26 UTC |
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| Update Date | 2025-03-25 00:46:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156777 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16O8 |
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| Molecular Mass | 360.0845 |
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| SMILES | O=C1CCC(Cc2cc(O)c(Oc3ccc(C(=O)O)cc3O)c(O)c2)O1 |
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| InChI Key | SGHOCXUMINXGLB-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdiarylethersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativeshydroxybenzoic acid derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundsresorcinolstetrahydrofurans |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinollactoneorganic oxidebenzoic acidorganoheterocyclic compoundtetrahydrofuranbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidgamma butyrolactonehydroxybenzoic acidoxacycleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compounddiphenyletherorganooxygen compound |
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