| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:59 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167059 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O3 |
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| Molecular Mass | 288.1474 |
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| SMILES | CC(C(=O)O)c1ccc(C(CO)Cc2cncn2C)cc1 |
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| InChI Key | TZJBZSFJUAXZCF-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 derivativesimidazolesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcohols |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundp-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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