| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:45 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177979 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19NO4 |
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| Molecular Mass | 301.1314 |
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| SMILES | Cc1ncc(Cc2ccc(C(C)C(=O)O)cc2)c(CO)c1O |
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| InChI Key | GECHCVHUHHDBLJ-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 | 2-halopyridinesaromatic alcoholsaromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | aromatic alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinep-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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