| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:58 UTC |
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| Update Date | 2025-03-21 18:36:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110278 |
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| Frequency | 24.2 |
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| Structure | |
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| Chemical Formula | C18H22O10 |
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| Molecular Mass | 398.1213 |
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| SMILES | COc1cc(CC2CCC(=O)O2)cc(O)c1OC1OC(C(=O)O)CC(O)C1O |
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| InChI Key | HNSSIVJOEAMHKL-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlactoneorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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