| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:29 UTC |
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| Update Date | 2025-03-25 00:48:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170406 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H29NO3 |
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| Molecular Mass | 343.2147 |
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| SMILES | CCCCCCCCc1ccc(NCc2ccc(CC(=O)O)o2)cc1 |
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| InChI Key | JCESEYXALUEEDD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alkylarylamines |
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| Substituents | furanmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativeorganic oxideorganopnictogen compoundorganoheterocyclic compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidorganooxygen compound |
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