| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:08 UTC |
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| Update Date | 2025-03-25 00:54:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208423 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O7 |
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| Molecular Mass | 380.1835 |
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| SMILES | CC(C)Cc1ccc(C(C)C(=O)OC2C(C)OC(C(=O)O)C(O)C2O)cc1 |
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| InChI Key | FDSSIUAFIHXKKI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsaromatic monoterpenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenylpropanespyran carboxylic acidssecondary alcohols |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidep-cymenecarboxylic acid derivativepyran carboxylic aciddialkyl etherphenylpropanebeta-hydroxy acidorganic oxideoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidaromatic monoterpenoid |
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