| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:04 UTC |
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| Update Date | 2025-03-25 00:51:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187802 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H26N2O9 |
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| Molecular Mass | 414.1638 |
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| SMILES | CC(=O)NC1C(OCOC(=O)C(N)Cc2ccc(O)cc2)OC(CO)C(O)C1O |
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| InChI Key | RUDGMQANEDCZTF-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsacetamidesalpha amino acid estersalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylalanine and derivativesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosacchariden-acyl-alpha-hexosaminesaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamideamphetamine or derivativesalcoholtyrosine or derivativesalpha-amino acid estercarboxamide groupoxacyclesecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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