| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:03 UTC |
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| Update Date | 2025-03-21 18:00:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026794 |
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| Frequency | 142.3 |
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| Structure | |
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| Chemical Formula | C15H17NO3 |
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| Molecular Mass | 259.1208 |
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| SMILES | CN1C2CC(OC(=O)c3ccccc3)CC1C1OC12 |
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| InChI Key | DUGUPYKZQLEWKA-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzoyl derivativescarboxylic acid estersdialkyl ethersepoxideshydrocarbon derivativesmonocarboxylic acids and derivativesmorpholinesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundspiperidinestrialkylamines |
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| Substituents | etheramino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativedialkyl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrolidinepiperidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic amineoxiraneoxazinaneoxacyclemorpholinemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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