| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:48 UTC |
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| Update Date | 2025-03-25 00:54:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205356 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H26N4O9 |
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| Molecular Mass | 478.17 |
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| SMILES | NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | NLMRNNNPJQFAQY-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 | acetalsalpha amino acid amidesalpha amino acidsalpha-amino acyl ester of carbohydratesamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersfatty amidesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonosaccharidesn-acyl-alpha amino acidso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylalanine and derivativespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarboxylic acido-glucuronidemonosaccharidealpha-amino acid or derivativespyran carboxylic acidalpha peptide1-o-glucuronidebeta-hydroxy acidsaccharideacetalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amidealpha-amino acid esterazacyclen-acyl-alpha-amino acidheteroaromatic compoundsecondary carboxylic acid amidefatty acid estercarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminefatty acylcarbonyl groupglucuronic acid or derivativesaromatic heteromonocyclic compoundfatty amideorganic oxideimidazoleorganopnictogen compoundamphetamine or derivativesazolepyran carboxylic acid or derivativeshydroxy acidcarboxamide groupoxacyclephenylalanine or derivativesorganic oxygen compoundpyranalpha-amino acyl ester of carbohydratesecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
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