| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:54 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201054 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26O10 |
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| Molecular Mass | 414.1526 |
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| SMILES | COc1cc(CC2CCC(=O)O2)cc(OC2C(O)C(O)C(O)C(O)C2OC)c1O |
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| InChI Key | YXHVFYALMJDUFR-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscyclitols and derivativescyclohexanolsdialkyl ethersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmethoxyphenolalkyl aryl ethercarboxylic acid derivativedialkyl etherlactoneorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurancyclohexanolcyclitol or derivativescyclic alcoholmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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