| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:35 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202561 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO2 |
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| Molecular Mass | 217.1103 |
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| SMILES | O=C(OC1CC2CCC1N2)c1ccccc1 |
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| InChI Key | AMSKDHWXSVDQDG-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 estersdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrolidines |
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| Substituents | secondary aliphatic amineazacycleamino acid or derivativesbenzoylbenzoate estersecondary aminecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineorganoheterocyclic compoundorganooxygen compoundamine |
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