| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:55 UTC |
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| Update Date | 2025-03-21 17:58:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012977 |
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| Frequency | 347.7 |
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| Structure | |
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| Chemical Formula | C18H24O9 |
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| Molecular Mass | 384.142 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1C(O)C(O)C(O)C(O)C1O |
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| InChI Key | AFQPLRKXNVLFRV-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 etherscarbonyl compoundscarboxylic acid esterscyclitols and derivativescyclohexanolsgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurancyclohexanolcyclitol or derivativescyclic alcoholmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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