| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:25 UTC |
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| Update Date | 2025-03-25 00:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225353 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO3 |
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| Molecular Mass | 277.1678 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)C2CCNCC2)cc1 |
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| InChI Key | RGMRZPUXYCYRME-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativephenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidineorganoheterocyclic compoundalcoholsecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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