| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:28 UTC |
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| Update Date | 2025-03-25 00:47:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161220 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21N3O6 |
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| Molecular Mass | 363.143 |
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| SMILES | NC(Cc1c[nH]c2ccccc12)C(=O)NC1C(=O)OC(CO)C(O)C1O |
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| InChI Key | KPYIRUJWLSWDFD-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidsaminosaccharidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersdelta valerolactonesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupindoledelta valerolactonefatty amidemonosaccharidelactonesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholdelta_valerolactoneorganoheterocyclic compoundalcoholamino saccharidealpha-amino acid amidealpha-amino acid esterazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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