| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:17 UTC |
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| Update Date | 2025-03-25 00:58:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229399 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H52NO9+ |
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| Molecular Mass | 546.3637 |
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| SMILES | CCCCCCCCCCCCC=CC(=O)OC(CC(=O)OC1OC(CO)C(O)C(O)C1O)C[N+](C)(C)C |
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| InChI Key | NQDMMTDLRBMNSF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acyl glycosides |
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| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaminescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmonosaccharidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholstetraalkylammonium salts |
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| Substituents | fatty acyl glycoside of mono- or disaccharidecarbonyl groupmonosaccharidecarboxylic acid derivativealpha,beta-unsaturated carboxylic estersaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationoxaneorganic saltprimary alcoholorganoheterocyclic compoundenoate esteralcoholtetraalkylammonium saltquaternary ammonium saltoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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