| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:47 UTC |
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| Update Date | 2025-03-25 00:58:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228314 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H30N2O14 |
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| Molecular Mass | 498.1697 |
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| SMILES | CC(=O)NC1C(OC(=O)C(N)CC(=O)O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | POANVSOAFRWUMX-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesalpha amino acidsaspartic acid and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersfatty acyl glycosides of mono- and disaccharidesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylfatty acyl glycoside of mono- or disaccharidecarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosacchariden-acyl-alpha-hexosaminesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholfatty acyl glycosidecarboxamide groupoxacyclesecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esteralpha-amino acyl ester of carbohydrateaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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