| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:50 UTC |
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| Update Date | 2025-03-21 18:30:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083373 |
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| Frequency | 34.5 |
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| Structure | |
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| Chemical Formula | C20H20N2O5 |
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| Molecular Mass | 368.1372 |
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| SMILES | O=C(O)C(Cc1ccc(O)cc1)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | QKEJDPLPNQNGHS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | tyrosine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspyrroles |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidindole1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativessecondary aliphatic aminetyrosine or derivativesazacycleheteroaromatic compoundindole or derivativessecondary aminephenylalanine or derivativesorganic oxygen compoundpyrroledicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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