| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:01 UTC |
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| Update Date | 2025-03-25 00:49:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176263 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O2 |
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| Molecular Mass | 258.1368 |
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| SMILES | Cc1cc(C)n(Cc2ccc(C(C)C(=O)O)cc2)n1 |
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| InChI Key | BPAPLWJYGVOJLV-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 | aromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazoles |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundp-cymenecarboxylic acid derivativepyrazoleorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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