| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:00 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H24O10 |
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| Molecular Mass | 424.1369 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1C(O)C(O)CC(C(=O)O)C1C(=O)O |
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| InChI Key | CFUHJGZALCPVTH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivativesalkyl aryl etherlactoneorganic oxideorganoheterocyclic compound1,2-diolalcoholtetrahydrofurancyclohexanolcyclitol or derivativescyclic alcoholmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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