| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:37 UTC |
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| Update Date | 2025-03-21 18:28:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070827 |
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| Frequency | 42.4 |
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| Structure | |
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| Chemical Formula | C14H16N2O3 |
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| Molecular Mass | 260.1161 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)Cn2ccnc2)cc1 |
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| InChI Key | RJSJOSPZICRYEG-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 alcoholsaromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundp-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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