| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:36 UTC |
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| Update Date | 2025-03-25 00:50:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179859 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H24O12 |
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| Molecular Mass | 456.1268 |
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| SMILES | COc1cc(CC2CCC(=O)O2)cc(OC2C(O)C(O)C(O)C(C(=O)O)C2C(=O)O)c1O |
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| InChI Key | DWJJYSCUSLDCGD-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 ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmethoxyphenoltricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurancyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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