| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:49 UTC |
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| Update Date | 2025-03-25 00:48:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168874 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C35H54N2O22 |
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| Molecular Mass | 854.3168 |
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| SMILES | CC(=O)NC1C(OC2C(O)C(CO)OC(OC(=O)C(N)Cc3ccc(O)cc3)C2O)OC(CO)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | MTMLVTBTZRWCTL-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 | alpha-amino acyl ester of carbohydrates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsacetamidesalpha 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 amidestyrosine and derivatives |
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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 derivativescarboxamide groupoxacyclesecondary carboxylic acid amidefatty acid estermonocarboxylic 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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