| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:41 UTC |
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| Update Date | 2025-03-25 00:45:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150401 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23NO3 |
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| Molecular Mass | 301.1678 |
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| SMILES | C=CC1(c2ccc(OC)cc2)CN2CCC1CC2C(=O)OC |
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| InChI Key | OEUDWGNBBWEETR-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundshydrocarbon derivativesmethoxybenzenesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylpiperidinespiperidinecarboxylic acidsquinuclidinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherquinuclidinealkyl aryl etherorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidinetertiary amineorganoheterocyclic compoundalpha-amino acid esterazacycletertiary aliphatic aminemethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisolephenylpiperidinecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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