| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:29 UTC |
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| Update Date | 2025-03-25 00:47:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161254 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O6 |
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| Molecular Mass | 348.1321 |
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| SMILES | NC(Cc1ccc(CNc2ccc(C(O)CC(=O)O)cc2)o1)C(=O)O |
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| InChI Key | SEFLPEDXJBCXEL-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 acidsamino acidsaromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alcoholssecondary alkylarylamines |
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| Substituents | aromatic alcoholfuranmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholheteroaromatic compoundhydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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