| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:35 UTC |
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| Update Date | 2025-03-21 18:04:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049550 |
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| Frequency | 66.6 |
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| Structure | |
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| Chemical Formula | C16H17NO4 |
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| Molecular Mass | 287.1158 |
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| SMILES | CN1C2CC(OC(=O)C(=O)c3ccccc3)CC1C1OC12 |
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| InChI Key | AYGHJHYUYLEEIX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativesamino acids and derivativesaryl ketonesazacyclic compoundscarboxylic acid estersdialkyl ethersepoxideshydrocarbon derivativesmonocarboxylic acids and derivativesmorpholinesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundspiperidinestrialkylamines |
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| Substituents | carbonyl groupetheramino acid or derivativesbenzoylcarboxylic acid derivativedialkyl etherketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundpyrrolidinepiperidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic amineoxiraneoxazinaneoxacyclemorpholinemonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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