| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:05 UTC |
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| Update Date | 2025-03-21 18:32:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093423 |
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| Frequency | 29.9 |
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| Structure | |
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| Chemical Formula | C18H22O9 |
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| Molecular Mass | 382.1264 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1C(O)C(O)C(O)C1C(=O)O |
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| InChI Key | KOFYFUDTTNRGKD-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclopentanolsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurancyclitol or derivativeshydroxy acidcyclic alcoholmethoxybenzenegamma butyrolactonecyclopentanoloxacycleorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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