| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:43 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187015 |
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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(=O)O)c1ccc(C(C)C(O)C2CCCN2)cc1 |
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| InChI Key | QCXAHHSWPLSJKK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganopnictogen compoundspyrrolidinessecondary alcohols |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidp-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundpyrrolidineorganoheterocyclic compoundalcoholsecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminearomatic monoterpenoid |
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