| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:08 UTC |
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| Update Date | 2025-03-21 18:38:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122684 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C18H22O6 |
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| Molecular Mass | 334.1416 |
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| SMILES | COC(=O)C1C(OC(=O)C(CO)c2ccccc2)CC2CCC1O2 |
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| InChI Key | LTGLHUDJLWSLEY-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxidesoxacyclic compoundsoxanesprimary alcoholstetrahydrofurans |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupethertetrahydrofurancarboxylic acid derivativedialkyl etheroxacyclebeta-hydroxy acidorganic oxidemethyl esterorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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