| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:38 UTC |
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| Update Date | 2025-03-25 01:02:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253091 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O3 |
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| Molecular Mass | 246.1004 |
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| SMILES | O=C(O)C(Cc1ccccc1)n1cncc1CO |
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| InChI Key | YJZOEEDMHCUFDM-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 | alpha amino acids and derivativesamphetamines and derivativesaromatic alcoholsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesazolen-substituted imidazolealcoholazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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