| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:13 UTC |
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| Update Date | 2025-03-25 00:48:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169797 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16O6 |
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| Molecular Mass | 232.0947 |
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| SMILES | CCOC(=O)C1=C(C)OC(C(O)CO)C1O |
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| InChI Key | KLPWOMRLZLBBAN-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsdihydrofuransenoate estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholsvinylogous esters |
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| Substituents | enoate esteralcoholcarbonyl groupvinylogous estercarboxylic acid derivativeoxacyclealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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