| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:41 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200546 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O11 |
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| Molecular Mass | 412.1006 |
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| SMILES | COc1ccc(CC2CCC(=O)O2)cc1OC1OC(C(=O)O)C(C(=O)O)OC1O |
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| InChI Key | XWIPLEZKWKSQKQ-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 | 1,4-dioxanesacetalsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshemiacetalshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivativesalkyl aryl etherlactoneorganic oxideacetalhemiacetalorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolepara-dioxanecarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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