| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:54 UTC |
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| Update Date | 2025-03-25 00:53:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198728 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18O7 |
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| Molecular Mass | 358.1053 |
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| SMILES | COc1cc(CC2CCC(=O)O2)cc(C(=O)O)c1Oc1ccc(O)cc1 |
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| InChI Key | LTYZYBKZYAOVJE-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-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdiarylethersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactoneorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesorganoheterocyclic compoundtetrahydrofuranbenzoic acid or derivativesmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compounddiphenyletherorganooxygen compound |
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