| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:38 UTC |
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| Update Date | 2025-03-25 00:52:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195783 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24N2O8 |
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| Molecular Mass | 384.1533 |
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| SMILES | CC1OC(OC(=O)CNC(=O)C(N)Cc2ccc(O)cc2)C(O)C(O)C1O |
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| InChI Key | XZTHJUYKRJGDPX-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 | peptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsacyl glycinesalpha amino acid amidesalpha amino acidsalpha-amino acyl ester of carbohydratesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylalanine and derivativessecondary alcoholssecondary carboxylic acid amidestyrosine and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundfatty amide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha-amino acid or derivativesalpha peptidesaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalcoholtyrosine or derivativesalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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