| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:31 UTC |
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| Update Date | 2025-03-21 18:33:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094428 |
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| Frequency | 29.5 |
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| Structure | |
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| Chemical Formula | C17H21NO4 |
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| Molecular Mass | 303.1471 |
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| SMILES | CN1C2CC(OC(=O)C(CO)c3ccccc3)CC2C2OC21 |
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| InChI Key | TWQHHLCRXBHSPK-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 | 1,3-oxazinanesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersepoxideshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrolidineprimary alcoholorganoheterocyclic compoundalcoholazacyclen-alkylpyrrolidineoxirane1,3-oxazinaneoxazinaneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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