| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:13 UTC |
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| Update Date | 2025-03-25 00:53:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199447 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO2 |
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| Molecular Mass | 247.1572 |
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| SMILES | Cc1ccccc1C(=O)OCCN1CCCCC1 |
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| InChI Key | RYBCJIAVNBUCAX-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 heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspiperidinestoluenestrialkylamines |
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| Substituents | aromatic heteromonocyclic compoundamino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundazacycletertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundtolueneamineorganooxygen compound |
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