| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:08 UTC |
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| Update Date | 2025-03-25 00:55:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213273 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28N2O3 |
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| Molecular Mass | 320.21 |
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| SMILES | CN1CCN(CCC(O)c2ccc(C(C)(C)C(=O)O)cc2)CC1 |
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| InChI Key | LKZJMQOBAQHXSX-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 | 1,3-aminoalcoholsamino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-methylpiperazinesorganic oxidesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativephenylpropaneorganic oxidepiperazineorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcohol1,3-aminoalcoholazacyclen-alkylpiperazinetertiary aliphatic aminen-methylpiperazinemonocarboxylic acid or derivativesorganic oxygen compound1,4-diazinanesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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